Danio rerio ; (ii) the African clawed toad Xenopus laevis ; and iii) the pond snail Radix balthica . Image sequences were analysed using Sparse Optic Flow and the resultant frame-to-frame motion parameters were analysed using Discrete Fourier Transform to quantify the distribution of energy at different frequencies. This spectral frequency dataset was then used to construct a Bray-Curtis similarity matrix and differences in movement patterns between embryos in this matrix were tested for using ANOSIM.Motion analysis is one of the tools available to biologists to extract biologically relevant information from image datasets and has been applied to a diverse range of organisms. The application of motion analysis during early development presents a challenge, as embryos often exhibit complex, subtle and diverse movement patterns. A method of motion analysis able to holistically quantify complex embryonic movements could be a powerful tool for fields such as toxicology and developmental biology to investigate whole organism stress responses. Here we assessed whether motion analysis could be used to distinguish the effects of stressors on three early developmental stages of each of three species: (i) the zebrafish Xenopus laevis at stages 24, 32 and 34 exposed to a salinity of 20, Danio rerio at 33 hpf exposed to 1.5% ethanol, and Radix balthica at stages E4, E9 and E11 exposed to salinities of 5, 10 and 15. This technique was better able to distinguish embryos exposed to stressors than analysis of manual quantification of movement and within species distinguished most of the developmental stages studied in the control treatments.Spectral frequency analysis of these motion parameters was able to distinguish stage-specific effects of environmental stressors in most cases, including This innovative use of motion analysis incorporates data quantifying embryonic movements at a range of frequencies and so provides an holistic analysis of an embryo’s movement patterns. This technique has potential applications for quantifying embryonic responses to environmental stressors such as exposure to pharmaceuticals or pollutants, and also as an automated tool for developmental staging of embryos. The development of imaging technology over the past two decades has enabled significant advances in biology and resulted in an exponential increase in the size and complexity of the data sets generated ,2. HowevAmong the many methods of automated image analysis available to biologists is motion analysis, a technique that has been used for quantifying the behavior of mammals , fish 88, sperm Danio rerio embryos at stages 19 h, 21.5 h and 33 h , and a salinity of 5 : 598 – 298 s; [2]: 200 – 149 s; [3]: 120 – 99 s; [4]: 85 – 54 s; [5]: 49 – 33 s; [6]: 29 – 20.5 s; [7]: 21 – 17 s; [8]: 16 – 15 s; [9]: 14 – 13 s; [10]: 12 – 11 s; [11]: 10 – 5 s; [12]: 4.9 – 3.5 s; [13]: 3.3 – 2.5 s; [14]: 2.4 – 1.7 s; [15]: 1.6 – 1 s; [16]: 0.9 – 0.33 s; [17]: 0.3 – 0.25 s; [18]: 0.24 – 0.1 s. Analysis of Radix balthica’s frame-to-frame motion analysis output was performed using 18 frequency bins for developmental stage comparisons - [1]: 598 – 299 s; [2]: 291 – 145 s; [3]: 120 – 100 s; [4]: 85 – 75 s; [5]: 66 – 60 s; [6]: 54 – 50 s; [7]: 46 – 43 s; [8]: 40 – 37 s; [9]: 35 – 30 s; [10]: 29 – 24 s; [11]: 20 – 17 s; [12]: 15 – 12.5 s; [13]: 12.2 – 10 s; [14]: 9.5 – 5 s; [15]: 2 – 1.1 s; [16]: 1 – 0.68 s; [17]: 0.66 – 0.5 s; [18]: 0.3 – 0.26 s, and 30 frequency bins for environmental stressor analysis - [1]: 300 – 150 s; [2]: 100 – 75 s; [3]: 60 – 50 s; [4]: 43 – 37.5 s; [5]: 33.5 – 30 s; [6]: 27.5 – 25 s; [7]: 23 – 21.5 s; [8]: 20 – 19 s; [9]: 17.5 – 16.5 s; [10]: 16 – 14.5 s; [11]: 13.5 – 12.5 s; [12]: 12 – 11 s; [13]: 10.5 – 9.5 s; [14]: 9 – 6.5 s; [15]: 6.3 – 5 s; [16]: 4.9 – 3.5 s; [17]: 3.3 – 2.5 s; [18]: 2.4 – 2 s; [19]: 1.9 – 1.5 s; [20]: 1.4 – 1 s; [21]: 0.9 – 0.8 s; [22]: 0.7 – 0.65 s; [23]: 0.6 – 0.5 s; [24]: 0.49 – 0.4 s; [25]: 0.39 – 0.34 s; [26]: 0.33 – 0.28 s; [27]: 0.27 – 0.22 s; [28]: 0.21 – 0.18 s; [29]: 0.17 – 0.15 s; [30]: 0.14 – 0.13 s. Radix balthica during its development performs movement types ranging from ciliary driven rotation to muscular driven crawling. As a result, to discern treatments more frequency bins were required for analysis of Radix balthica than for Danio rerio or Xenopus laevis, as movement differences fell within rather than between frequency bins. These extra frequency bins enhanced the frequency discrimination and therefore the detection of subtle changes to these complex movement behaviours.Frame-to-frame motion analysis data were analysed for spectral content using the Discrete Fourier Transform (DFT) . This reThe data resulting from the DFT comprises 72 parameters  for each individual. These data were transformed (Log X + 1) and for each species a Bray-Curtis similarity matrix was calculated. This matrix was used to generate Multidimensional Scaling (MDS) plots and ANOSIM  was usedThe authors have a patent pending, entitled: Method and system for determining characteristics of an embryo and uses thereof .This work was funded by the Marine Institute at Plymouth University through the HEIF4 programme.TB and OT carried out experimental work and bioimaging. PC carried out programming required for motion analysis and frequency analysis. TB, OT, SDR and JIS participated in the data analysis. All authors read and approved the final manuscript.


Two SnIV atoms are coordinated by two butyl groups, one benzoate O atom and two bridging O atoms, whereas the other two SnIV atoms are coordinated by two butyl groups, two benzoate O atoms and a bridging O atom. All the butyl groups are equatorial with respect to the SnO3 trigonal plane. In the crystal, molecules are linked into a two-dimensional layer parallel to the ab plane by intermolecular N—H⋯O and C—H⋯O hydrogen bonds and further stabilized by a π–π interaction [centroid–centroid distance = 3.6489 (11) Å]. Intramolecular N—H⋯O and C—H⋯O hydrogen bonds stabilize the molecular structure. Two of the butyl groups are each disordered over two sets of sites with site-occupancy ratios of 0.510 (4):0.490 (4) and 0.860 (5):0.140 (5).In the title complex, [Sn DOI: 10.1107/S1600536811028212/is2746Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The coordination geometry around the CuII atom can be described as distorted elongated octahedral with Rout = 2.277 (2) Å, Rin = 2.052 (2) Å and a tetragonality of 0.9011, acquiring a ‘static’ stereochemistry. In the supramolecular network, there are intermolecular C—H⋯F and C—H⋯N interactions with R33(16), R22(7), R12(4), R33(16) and C32(7) motifs that lead to an infinite three-dimensional network.In the title compound, [Cu(C DOI: 10.1107/S1600536812028267/ru2037Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The RhI atom is displaced from the plane through these surrounding atoms by 0.0085 (2) Å. The dihedral angle between the benzene ring and the N—C—C—C—O plane is 89.82 (6)°, and the N—Rh—O bite angle for the bidentate ligand is 90.53 (6)°. An intermolecular C—H⋯O interaction is observed between a methyl group of the benzene ring and a carbonyl O atom.In the title compound, [Rh(C DOI: 10.1107/S1600536812017175/hy2537Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


There are C—H⋯O hydrogen bonds and π–π interactions [centroid–centroid distance = 3.487  (3) Å] in the crystal structure. The perchlorate anion is disordered over two positions with an occupancy ratio of 0.628 (9):0.372 (9). In the crystal structure of the title compound, [Cu(HCO DOI: 10.1107/S1600536811039675/jh2326Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The NiII atom is bonded by two O atoms of the bidentate chelating sulfate ligand and the four N atoms of two chelating 2,2′-bipyridine ligands. The Ni—N bond lengths range from 2.059 (3) to 2.075 (3) Å and the Ni—O bond lengths are 2.098 (3) and 2.123 (3) Å. The bipyridyl ligands are both close to planar (r.m.s. deviations of 0.254 and 0.0572 Å) and are almost orthogonal, making a dihedral angle of 82.77 (1)°. In the crystal, the complex and water molecules are connected by O—H⋯O hydrogen bonds. Interestingly, six water molecules form a chain linking two complex molecules via sulfate O atoms. There are also stacking interactions between the aromatic rings of neighbouring 2,2′-bipyridine ligands with shortest non-covalent contacts of 3.268 (6), 3.393 (6) and 3.435 (5) Å. One of the three unique water molecules shows half-occupation.The title compound, [Ni(SO DOI: Click here for additional data file.10.1107/S1600536813014219/sj5321Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The negatively charged N atom of the group binds to the terminal SnIV atom at a shorter distance [Sn—N = 2.240 (3) Å] compared with the neutral N atom that binds to the central SnIV atom [Sn← N = 2.641 (3) Å]. The terminal SnIV atom is five-coordinate in a cis-C2SnNO2 trigonal–bipyramidal geometry [C—Sn—C = 127.5 (2)°], whereas the central SnIV atom is six-coordinate in a C2SnNO3 skew-trazepoidal bipyramidal geometry [C—Sn—C = 145.0 (2)°].The tetranuclear title compound, [Sn DOI: Click here for additional data file.10.1107/S1600536812047708/bt6863Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The RuII atom has a classical three-legged piano-stool environment being coordinated by an η6-benzene ligand [Ru—centroid = 1.6964 (6) Å], two chloride ligands with an average Ru—Cl bond length of 2.4138 (3) Å and a dicyclohexylphenylphosphane ligand [Ru—P = 2.3786 (3) Å]. The effective cone angle for the phosphane was calculated to be 158°. In the crystal, weak C—H⋯Cl hydrogen bonds link the RuII complexes into centrosymmetric dimers. The crystal packing exhibits intra- and intermolecular C—H⋯π interactions resulting in a zigzag pattern in the [101] direction.The asymmetric unit of the title compound, [RuCl II–arene complexes, see: Chen et al. (C18H27P)]·1.5C6H6 = 0.018wR(F2) = 0.048S = 1.037589 reflections334 parametersH-atom parameters constrainedmax = 0.54 e Å−3Δρmin = −0.43 e Å−3ΔρAPEX2  global, I. DOI: Click here for additional data file.10.1107/S1600536812044674/cv5349Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


In the L ligand, the two benzene rings are nearly parallel, forming a dihedral angle of 2.0 (1)°. In the crystal, intermolecular O—H⋯N hydrogen bonds link pairs of molecules into centrosymmetric dimers which exhibit π–π interactions between the aromatic rings [centroid–centroid distance = 3.677 (5) Å].In the title molecule, [V(C DOI: 10.1107/S1600536811010385/cv5063Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The CaII atom is octacoordinated by two O atoms from two water molecules and six O atoms from four acetate ligands. Each acetate acts as a tridentate ligand bridging two CaII atoms, resulting in a chain running along the c axis. O—H⋯O and C—H⋯O hydrogen bonds connect the chains into a two-dimensional network parallel to [011]. π–π interactions between adjacent isoindoline-1,3-dione rings [centroid–centroid distance = 3.4096 (11) Å] further consolidate the structure. One of the carboxylate O atoms is disordered over two sites in a 0.879 (12):0.121 (12) ratio.In the title complex, [Ca(C N-phthaloylglycine, see: Khan & Ismail 2(H2O)2] = 0.036                           wR(F                           2) = 0.102                           S = 1.04                           2339 reflections160 parameters3 restraintsH atoms treated by a mixture of independent and constrained refinementmax = 0.28 e Å−3                        Δρmin = −0.23 e Å−3                        Δρ                                 APEX2  used to solve structure: SHELXS97  global, I. DOI: 10.1107/S1600536811027851/pv2422Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The complex molecules are linked by intermolecular N—H⋯O hydrogen bonds into a chain along [010]. π–π interactions between the pyridine rings and between the pyrazole rings [centroid–centroid distances = 3.772 (2) and 3.546 (2) Å] connect the chains.In the title complex, [Mn(CH DOI: 10.1107/S1600536811010506/hy2414Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The five Cl atoms bound to Sb [Sb—Cl = 2.4043 (9)–2.6262 (11) Å] form a square-pyramidal coordination environment. In addition, two [SbCl5]2− anions related by an inversion center are joined by Sb⋯Cl interactions [Sb⋯Cl = 3.7273 (14) Å] into an [Sb2Cl10]4− dimer with two bridging Cl atoms. The anions, water molecules and ammonium groups of the cations are linked by N—H⋯Cl, N—H⋯O and O—H⋯Cl hydrogen bonds, forming layers parallel to the ac plane. The benzene rings of the 4-methylanilinium cations are packed between these layers.The title compound, (C DOI: 10.1107/S1600536812009427/yk2046Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


In comparison with the original determination based on photographic data , the current study allows the location of reliable postions for the H atoms and thus leads to better understanding of the interionic and intermolecular interactions. The crystal structure consists of an octahedrally coordinated cationic CoIII complex ion, an octahedrally coordinated anionic CoIII complex ion and a lattice water molecule. The complex cation, complex anion and lattice water molecule are connected by an intricate network of O—H⋯O and N—H⋯O hydrogen bonds, forming a three-dimensional structure.The structure of the title compound, [Co(NO al. 1976. Inorg.  III complexes, see: Angelici 2(C2H8N2)2][Co(NO2)4(C2H8N2)]·H2O = 0.035wR(F2) = 0.087S = 1.076280 reflections340 parametersH atoms treated by a mixture of independent and constrained refinementmax = 0.72 e Å−3Δρmin = −0.84 e Å−3ΔρAPEX2  used to solve structure: SHELXS97  global, I. DOI: Click here for additional data file.10.1107/S1600536812050325/wm2706Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


One iodobenzoate anion and one water molecule bridge adjacent Co cations, forming a polymeric chain running along the a axis, while the other iodobenzoate anion and water molecule coordinate in a monodentate manner to the CoII cation, completing the slightly distorted octahedral geometry. In the two independent anionic ligands, the carboxylate groups are twisted away from the attached benzene rings by 51.38 (18) and 39.89 (11)°, and the two benzene rings are nearly perpendicular to each other with a dihedral angle of 86.09 (10)°. Intramolecular O—H⋯O hydrogen bonds between coordinating water molecules and adjacent carboxylate O atoms help to stabilize the molecular structure. In the crystal, weak C—H⋯O hydrogen bonds link the polymeric chains into a three-dimentional supramolecular network.The asymmetric unit of the polymeric title compound, [Co(C N,N-diethylnicotinamide, see: Bigoli et al. 2(H2O)2] = 0.020wR(F2) = 0.051S = 1.204313 reflections224 parameters8 restraintsH atoms treated by a mixture of independent and constrained refinementmax = 0.60 e Å−3Δρmin = −1.03 e Å−3ΔρAbsolute structure: Flack 1983, 1835 FrFlack parameter: 0.016 (19)APEX2  used to solve structure: SHELXS97  I, global. DOI: 10.1107/S1600536812015115/xu5504Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


A distorted octahedral coordination geometry of the CoII atom results from ligation of an H atom, which is part of an agostic B—H⋯Co interaction [H⋯Co = 2.12 (3) Å], and by five imine N atoms, two from a Bp ligand and three from a Tp ligand. Weak intra- and intermolecular C—F⋯π interactions with F⋯centroid distances ranging from 3.025 (4) to 3.605 (4) Å are observed.The title compound, [Co(Cenza 2010. Acta Cr DOI: 10.1107/S1600536811021994/rz2601Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Intermolecular O—H⋯O hydrogen bonds lead to the formation of a two-dimensional layer structure parallel to (001). The layers are connected by π–π interactions between the pyridyl and benzene rings of the phenanthroline ligands [centroid–centroid distances = 3.591 (1) and 3.610 (1) Å].In the title mononuclear complex, [Cd(C DOI: 10.1107/S1600536810028175/hy2328Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


In both ligands, the benzyl and benzimidazole rings are nearly perpendicular [dihedral angles = 81.7 (2) and 81.5 (2)°]. The two benzimidazole systems are essentially planar [maximum deviations = 0.015 (3) and 0.020 (2) Å] and form a dihedral angle of 78.09 (8)°. In the crystal, centrosymmetrically related molecules are linked by pairs of C—H⋯Cl hydrogen bonds into chains parallel to the a axis.In the title compound, [ZnCl DOI: 10.1107/S1600536814002840/rz5104Isup2.hklStructure factors: contains datablock(s) I. DOI: CCDC reference:  crystallographic information; 3D view; checkCIF reportAdditional supporting information:


The hydrazine carbothioamide moiety and one of the pyridyl rings together adopt an almost planar arrangement, with a maximum deviation of 0.052 (4) Å for the C atom of the thiourea moiety. There are two molecules of methanol solvent per complex in the asymmetric unit. The nonconventional intramolecular C—H⋯Br hydrogen bonds make the molecule more rigid, whereas the conventional N—H⋯N and O—H⋯Br intermolecular hydrogen-bonding interactions, supported with N—H⋯π interactions, establish a supramolecular linkage among the molecules in the crystal. An intermolecular C—H⋯O interaction is also present.In the centrosymmetric binuclear title compound, [Cu DOI: 10.1107/S1600536812005934/fj2511Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


Within the complex, the carboxylic acid forms intramolecular O—H⋯O hydrogen bonds, while the molecules are assembled through N—H⋯O(carboxyl) hydrogen bonds into chains extending along the a-axis direction. These chains are further linked by weak π–π interactions [centroid–centroid separation = 3.930 (2) Å].The structure of the title compound, [Cu(C DOI: 10.1107/S160053681102839X/zs2128Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The dihedral angle between the benzene rings is 12.27 (11)°. Adjacent complex molecules are linked into dimers by O—H⋯O hydrogen bonds, generating rings of R               1               2(6) and R               1               2(5) graph-set motifs, and by aromatic π–π stacking interactions, with a centroid–centroid distance of 3.812 (2) Å. The crystal packing is further stabilized by intermolecular C—H⋯N hydrogen bonds. The C and N atoms of the acetonitrile solvent molecule are located on a crystallographic twofold axis.In the mononuclear complex molecule of the title compound, [Cr(C DOI: 10.1107/S1600536811037275/rz2636Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Intermolecular O—H⋯I hydrogen bonds and π–π stacking interactions between the pyridine rings [centroid–centroid distance = 3.790 (2) Å] are present in the crystal structure.In the centrosymmetric dinuclear title compound, [Cd DOI: 10.1107/S1600536810041681/hy2362Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The benzene and pyridine rings are oriented at a dihedral angle of 56.7 (6)°. The crystal packing is stabilized by C—H⋯Cl hydrogen bonds and π–π interactions between the pyridine rings [centroid–centroid distance = 3.796 (6) Å].In the centrosymmetric binuclear molecule of the title complex, [Hg DOI: 10.1107/S1600536812039050/hy2585Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


In addition, there is a Zn⋯S contact involving a symmetry-related S atom which, when considered, forms a pseudo-square-pyramidal coordination with respect to the ZnII ion. Three of the ethyl groups are disordered over two sites with occupancy ratios of 0.841 (10):0.159 (10), 0.802 (10):0.198 (10) and 0.457 (13):0.543 (13). Weak intramolecular C—H⋯N and C—H⋯S interactions contribute to the stability of the molecular conformation. Intermolecular C—H⋯S contacts, weak C—H⋯π interactions and π–π stacking interactions [centroid–centriod distances = 3.832 (4) and 3.850 (5) Å] contribute to the stabilization of the crystal structure.In the title compound, [Zn(C DOI: 10.1107/S1600536810028588/lh5086Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The CuII atom together with its four coordinated O atoms are in a distorted planar square arrangement while the nitrogen and the other CuII atom are located in apical positions. The whole molecule looks like a paddle-wheel. In the crystal, chains are assembled along the b axis through C—H⋯O hydrogen bonds and slipped π–π interactions between the benzene rings of neighbouring molecules [centroid–centroid distance = 3.6929 (3) Å and slippage = 0.641 (1) Å].In the binuclear copper(II) title complex, [Cu II carboxylato compounds with subnormal magnetic moments, see: Kato et al. 4(C2H3N)2] = 0.037wR(F2) = 0.105S = 1.073466 reflections271 parametersH-atom parameters constrainedmax = 0.55 e Å−3Δρmin = −0.32 e Å−3ΔρSMART  used to solve structure: SHELXS97  I, global. DOI: Click here for additional data file.10.1107/S1600536812049410/lr2089Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


In the crystal, the complex anions and cations are linked via N—H⋯Cl hydrogen bonds into layers parallel to (101). Short Br⋯Cl contacts of 3.4239 (11) and 3.4503 (12) Å are observed, as well as π–π stacking interactions between the pyridine and pyridinium rings, with alternating centroid-to-centroid distances of 3.653 (2) and 3.845 (2) Å.The structure of the title salt, (C DOI: Click here for additional data file.10.1107/S1600536813011884/wm2739Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The structure contains two uncoordinated water molecules. In the crystal, N—H⋯O, O—H⋯O and weak C—H⋯O hydrogen bonds and π–π stacking interactions between the pyridine rings of the pydc ligands, with a centroid–centroid distance of 3.4582 (18) Å, stabilize the structure.In the title compound, (C DOI: 10.1107/S1600536811024366/hy2434Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The dihedral angles formed between the mean planes of the pyrazole rings and the phenanthroline system are 15.74 (15) and 16.30 (13)°. In the crystal, there is a π–π stacking interaction involving two symmetry-related pyrazole rings, with a centroid–centroid distance of 3.664 (3) Å. In addition, there is a relatively short intermolecular contact between C atoms [C⋯C = 3.399 (6) Å] involving symmetry-related pyridine rings along the a axis.In the title complex, [Cd(NCS) DOI: 10.1107/S1600536810051275/lh5181Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The o-nitrosotoluene ligand is N-bound to iron(II) [Fe—N = 1.8406 (18)Å and Fe—N—O = 122.54 (14)°]. The axial N—Fe—N linkage is almost linear, with a bond angle of 177.15 (7)°. One phenyl group of the porphyrin ligand is disordered over two orientations in a 0.710 (3):0.290 (3) ratio. The dichloromethane solvent molecule was severely disordered and its contribution to the scattering was removed with the SQUEEZE routine .The solvated title compound, [Fe(CSpek 1990. Acta Cr DOI: 10.1107/S160053681400083X/hb7178Isup2.hklStructure factors: contains datablock(s) I. DOI: CCDC reference:  crystallographic information; 3D view; checkCIF reportAdditional supporting information:


II ion in the title complex, [PtBr2(C10H9N3)], is four-coordinated in an essentially square-planar environment by two N atoms from a chelating di-2-pyridylamine (dpa) ligand and two Br− anions. The dpa ligand is not planar, with the dihedral angle between the pyridine rings being 40.8 (2)°. The complex molecules are stacked in columns along [001] through π–π interactions between the pyridine rings [centroid–centroid distances = 3.437 (3) and 3.520 (3) Å]. Intermolecular N—H⋯Br hydrogen bonds connect the molecules into chains running along [010]. Intramolecular C—H⋯Br interactions are also observed.The Pt II complex [PtCl2(dpa)], see: Li & Liu ] = 0.029wR(F2) = 0.079S = 1.102973 reflections145 parametersH-atom parameters constrainedmax = 1.41 e Å−3Δρmin = −2.22 e Å−3ΔρSMART  used to solve structure: SHELXS97  global. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The amine N—H group and pyridine N atom are syn allowing for the formation of centrosymmetric eight-membered {⋯HNCN}2 synthons via N—H⋯N hydrogen bonds. The two-molecule aggregates are sustained in the three-dimensional crystal packing via C—H⋯π and π–π interactions [centroid–centroid distance for pyridyl rings = 3.7535 (12) Å]The title amine, C DOI: 10.1107/S1600536811044059/hg5117Isup2.hkl            Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811044059/hg5117Isup3.cml            Supplementary material file. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


In each molecule, the CuII ion is five-coordinated in a distorted square-pyramidal geometry wherein the basal plane is defined by the N,N′,N"-tridentate Schiff base and one N-bound thiocyanate ligand. The second N-donor thiocyanate group, located at the apical site, completes the coordination environment. In the crystal, intermolecular C—H⋯S and C—H⋯N hydrogen bonds link adjacent molecules into infinite layers parallel to the ac plane. Intramolecular C—H⋯N interactions are also observed.The asymmetric unit of the title compound, [Cu(NCS) For the al. 2011. For a d al. 1984.       2(C11H17N3)] = 0.045                           wR(F                           2) = 0.128                           S = 1.00                           7159 reflections385 parametersH-atom parameters constrainedmax = 1.04 e Å−3                        Δρmin = −0.81 e Å−3                        Δρ                                 APEX2  used to solve structure: SHELXS97  I, global. DOI: 10.1107/S1600536811022057/is2717Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


In complex A, [Zn2(C8H7O2)4(H2O)2], each Zn cation is chelated by a 4-methylbenzoate (PMB) anion and coordinated by a water molecule, and is further bridged by two PMB anions in a trigonal-bipyramidal geometry. In complex B, [Zn2(C8H7O2)4(C6H6N2O)2], each ZnII cation is coordinated by a monodentate PMB anion and one nicotinamide (NA) ligand, and is further bridged by two PMB anions in a tetrahedral geometry. Weak intra-molecular π–π stacking between adjacent benzene rings is observed in complex B, the centroid–centroid distance being 3.710 (2) Å. Extensive O—H⋯O and N—H⋯O hydrogen bonding and weak C—H⋯O hydrogen bonding is present in the crystal structure. The crystal studied was a racemic twin; the minor twin component refined to 38%.The crystal structure of the title compound, [Zn DOI: 10.1107/S1600536810022476/xu2762Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


AbstractHarpapion safranumsp. n. and Harpapion borisisp. n. are described and figured. Harpapion vietnamense  is recorded as new for China. The genitalia andterminalia of H. considerandum, H. coelebs andH. vietnamense are redescribed and redrawn. The diagnostic characters of Harpapion are defined. A key to the known species of the genus Harpapion from China is provided. Affinities with the genus Flavopodapion Korotyaev, 1987 are discussed. Harpapion was erected and initially placed as a subgenus of Apiotherium Beguin-Billecocq, 1905 by Apioninaeincertae sedis by Aspidapiini Alonso-Zarazaga, 1990 based on its elongate-triangular scutellum and the genitalia with apparently primitive traits  and Harpapion vietnamense , respectively from China and Vietnam were identified as new records of Harpapion in Southeast Asia , and then Harpapion compared with Pseudaspidapion Wanat, 1990.The apionid genus e traits . Moreovee traits  until twast Asia . Wanat , Harpapion coelebs andHarpapion vietnamense.Recently, we obtained two more specimens of the monotypic species Institute of Zoology, Chinese Academy of Sciences, Beijing (IZCAS) and the Biological Museum, Sun Yat-Sen University, Guangdong (BMSYU). Type and identified specimens were obtained from BMSYU, Natural History Museum (NHM), Zoological Institute (ZIN) on loan or belong to IZCAS.Materials examined of the new species for this study are to be deposited in the Descriptions were made and photographs were taken with a Canon EOS 5D mounted on a Nikon SMZ1500. Extended focus images were generated with CombineZM and edited with Adobe Photoshop CS 5.0 when required. Microscopic slides were studied under a Leica DM 2500 microscope and photos were taken with a Nikon CoolPix P7100. Drawings were made from the original photographs by using the software Adobe Illustrator CS5.0, or directly by using a drawing tube attached to the microscope.Scanning Electron Microscope (SEM) photos were taken with a FEI ESEM Quanta 450 device and the software xT microscope control. Specimens were cleaned by hair pencil and mounted on the mounting card directly.Nomenclature of the rostral parts follows The dissecting method used follows After description, the genitalia and other parts of each specimen were placed in DMHF on an acetate card for long term conservation .Labels are described as they are (in Chinese or Cyrillic), with pinyin romanization for Chinese and ISO 9:1995 for Russian, and translations in square brackets; labels are separated by semicolons and lines by slashes. Alternative modern pinyin romanizations are also given in some cases where labels are written using other romanization systems, like Wade-Giles.Harpapion could be defined as follows: 1) scutellum triangular, distinctly elongate and basally projecting, apically raised (Pseudaspidapion)  the pygidium is of the aspidapionine type, subsemicircular in dorsal view, with the apical flange strongly raised, the transverse sulcus deep but not cutting the sides; 8) the ninth sternite  is Y-shaped, slender and subsymmetrical, not winged; 9) the apex of the penis is moderately to distinctly curved in lateral view, sometimes the pedon is recurved at apex; 10) the tegminal plate is articulated with the free ring, laterally developed, enveloping; the parameroid lobes present a usually well developed apical membranous area with a small apical notch, the basal sclerotized area has a medial sinuation in its front margin and bears 4-7 macrochaetae on each side; the fenestrae are present and variable; the prostegium is bidentate with two lateral projections (absent in Harpapion coelebs).According to species examined, the diagnostic characters of y raised ; 2) the idapion) , 16; 3) http://species-id.net/wiki/Harpapion_considerandumPygidium subsemicircular in dorsal view, 0.83× as long as wide, apical flange strongly raised, transverse sulcus deep  Y-shaped, slender and nearly symmetrical, not winged, manubrium about 1.21× as long as arms . Penis i1♂: : Magila / E. Africa / A. V. Legros / 98-190; : Wagner det. ♂ / considerandum Fåhr.; 1♀: : X. 1983 / in clove tree / CIEA15888; : Tanzania / Zanjibar / Kitunda; : pres by: Comm Inst Ent B. M. 1984-1. Specimens in the NHM.Harpapion considerandum s. str. has been recorded from the following African countries: Guinea, Cameroon, Republic of the Congo, Democratic Republic of the Congo (ex Zaire), Chad, Ethiopia, Kenya, Tanzania, Uganda, Angola, Zimbabwe and South Africa   from Senegal, Guinea, Mali, Nigeria and Tanzania  from Tanzania and Angola  . Two subTanzania ; and sspd Angola .http://species-id.net/wiki/Harpapion_coelebsPygidium subsemicircular in dorsal view, 0.83× as long as wide, apical flange strongly raised, transverse sulcus distinctly depressed and wide, disc with 2–3 rows of punctures between disc and sulcus, pubescent sparse and minute : 云南景东董家坟 [Yúnnán JǐngDōng Dǒngjiāfén] / 1956.V.28/1250m / leg. 克雷让诺夫斯基 [Kryzhanovsky]; : Юньнань, 10 км. N Цзин-  / дуна [-Dōng], 1250 м, 28. V. 1956 / Крыжановский [Kryzhanovsky].Yunnan.http://species-id.net/wiki/Harpapion_vietnamensePygidium subsemicircular in dorsal view, 0.89× as long as wide, apical flange strongly raised, transverse sulcus deep and narrow, disc nearly smooth, without visible punctures or pubescence ] / 采集人：孟令曾 [Cǎijírén (leg.): Mèng Lìngzēng]; Guomenshan, VI/1D / 06.05.2009/ leg. L. Z. Meng; IOZ(E)1369311; 1♂: 云碧大开河 [Yún Bì Dàkāihé] / 1957.IV.23 / 朱增浩 [leg. Zhū Zēnghào]; IOZ(E)1639312.Holotype. ♂ : Вьетнам, пров. Хашонбинь   / 7 км ю.-в. Хоабиня, вторичный тропический лес и кустарник на склоне   / 17. X 1976 / leg. Л. Н. Медведев [L. N. Medvedev]; 1♂: 云南景洪勐海县纳板河 [Yúnnán Jǐnghóng Měnghǎixiàn Nàbǎnhé] / 保护区过门山（森林） [bǎohùqū Guòménshān (sēn lín [forest]) / 2009.V.06, 1114m; Yunnan (new record for China), Vietnam.Wang & Alonso-Zarazagasp. n.http://zoobank.org/887BB3CE-2FF2-4337-A439-88763EA93AE1http://species-id.net/wiki/Harpapion_safranumMeasurements (in mm): Standard length: 1.84. Rostrum: length: 0.77, maximum width: 0.16. Pronotum: median length: 0.53, maximum width: 0.57. Elytra: median length: 1.33, maximum width: 0.92.(holotype). Integument  and grayish acute hairs on antennae, tibiae and tarsomeres. Pronotal vestiture centripetal, scales on apex parallel to margin, but on base perpendicular to margin, pronotal disc with scales distinctly longer and thicker than on legs, reaching base of anterior scales. Elytral scales in one row per interstriae, two irregular rows on disc, scales on striae 1/2-2/3 as long as scales on interstriae. One specialized seta on apical region of 9th interstria.Rostrum cylindrical and moderately robust, in dorsal view 8.25× as long as apical width, 1.45× as long as pronotum in midline, widest at mesorostrum, prorostrum constricted apicad, metarostrum with sides almost parallel, metarostrum with median dorsal area impunctate, dorsal submedial sulci and dorsal submedial keels weak, minutely punctate and pubescent, lateral area of metarostrum and prorostrum with weak oblong confluent punctures, weakly microreticulate, apical third of prorostrum almost impunctate, smooth and shining; in lateral view moderately curved, sides converging to apex, carinae and sulci weak, ventral medial keel fine and complete, ventral sublateral keels with dense line of scales under mesorostrum.Head transverse, frons very weakly convex, as wide as metarostrum, constricted behind eyes, medial area impunctate and glabrous, lateral areas with irregular rows of punctures and scales, subocular keel not reaching middle of eyes, area between subocular keel flat, microreticulate and impunctate. Eyes round, moderately convex.Antennae inserted at basal 0.23 of rostral length, scape 3.20× as long as wide, about as long as mesorostral width. Pedicel 2.00× as long as wide, as long as desmomeres 2+3, desmomeres 2–3 1.33× as long as wide, desmomeres 4–5 and 7 1.00× as long as wide, desmomere 6 0.75× as long as wide. Club oval, slightly flattened, 1.88× as long as wide, as long as last 5.5 desmomeres, sutures obsolete.Pronotum campaniform, 0.93× as long as wide, apical constriction relatively strong, little wider at base than at middle, base 1.39× as wide as apex, bisinuate with rounded medial projection towards scutellum, basal flange developed. Prescutellar fovea shallow, very short, about as broad as diameter of one puncture, as long as 2–3 diameters, reaching 1/4 of pronotum. Discal punctures relatively deep, ca. 0.5–1× diameter apart, interspaces moderately convex, microreticulate.Scutellum elongate, triangular, ca. 2.00× as long as wide, 2 basal tubercles fused at base in front view, apical tubercle rounded, slightly prominent and hardly visible in lateral view : Standard length: 1.62–1.90. Rostrum: length: 0.61–0.75, maximum width: 0.14–0.16. Pronotum: median length: 0.47–0.57, maximum width: 0.51–0.60. Elytra: median length: 1.26–1.46, maximum width: 0.72–0.92. Female paratypes 1639313; Paratypes: 3♂: Kwangtung [Guǎngdōng] S. China / Loh Fau Shan, [Luófúshān], / Poh-lo [Bóluó] District / April 6–8, 1934 / K. C. Yeung; En-071380~En-071382; 1♂: Hong Kong: Un-long [Yuánláng], / New Territories / September 19. 1940 / J. Linsley Gressitt; En-071403; 1♂: Hainan I. South China / Ta-hian [probably Dàoxiǎng], Alt. 300 met. / N. side, 5- Finger Mts. [Wúzhĭshān] / VI-12-1935 / L. Gressitt / En-071423; 1♀: Kwangtung [Guǎngdōng], S. China / Ho-yün [Heyun] to Wui-lung [probably Wéilóng] / Ho-yuen [Héyuán] District / Apr. 7, 1940. J. L. / Gressitt & F. K. To; En-071409; 1♀: Kwangtung [Guǎngdōng], S. China. / Sin-fung [Xīnfēng] to Lung-kai [Longgai (probably Lóngjīe which can be found on the modern maps)]. / Sin-fung [Xīnfēng] & Lien-p’ing [Liánpíng] / Dist’s, Apr. 12, 1940 / L. Gressitt & F. E. To; En-071367.Guangdong, Hong Kong, Hainan.Holotype will be deposited in IZCAS, while all paratypes in BMSYU.Harpapion safranum sp. n., can be easily recognized from other species from China by its external characters  However, it is extremely similar to Harpapion considerandum which can be distinguished from the former by genitalia which were described above and illustrated in safranum after its testaceous legs. This is a Medieval Latin name of the plant now called Crocus sativus L. (saffron) which yields a yellowish-orange dye. It is considered a noun in apposition.This species is named Wang & Alonso-Zarazagasp. n.http://zoobank.org/03462889-EF2B-418A-BAE5-394758F1E2DBhttp://species-id.net/wiki/Harpapion_borisiMeasurements (in mm). Standard length: 1.22. Rostrum: length: 0.44, maximum width: 0.08. Pronotum: median length: 0.36, maximum width: 0.41. Elytra: length: 0.94, maximum width: 0.54.(holotype). Integument generally piceous, tibiae and tarsi relatively paler and antennae pale reddish brown ] / 采集人：孟令曾 [Cǎijírén (leg.): Mèng Lìngzēng]; Guomenshan VI/1D / 16.03.2009 / leg. L. Z. Meng; IOZ(E)1639309; Paratype: 1♂, : 云南景洪勐海县纳板河 [Yúnnán Jǐnghóng Měnghǎixiàn Nàbǎnhé] / 保护区过门山（森林） [bǎohùqū Guòménshān (sēn lín [forest])] / 2009.VI.26 1114m; 22.24644°N, 100.60610°E飞阻 [Fēizŭ (flight intercept)] / 采集人：孟令曾 [Cǎijírén (leg.): Mèng Lìngzēng]; Guomenshan VI/1D / 26.06.2009 / leg. L. Z. Meng; IOZ(E)1639310.Holotype: 1♂: : 云南景洪勐海县纳板河 [Yúnnán Jǐnghóng Měnghǎixiàn Nàbǎnhé] / 保护区过门山（森林） [bǎohùqū Guòménshān (sēn lín [forest])] / 2009.III.16 1114m; Yunnan.Both holotype and paratype will be deposited in IZCAS.Harpapion borisi sp. n. can be distinguished from other congeners by the following traits: 1) body standard length 1.22–1.24 mm (the others more than 1.5 mm); 2) elytral scales with similar size, in one regular row per interstria; 3) rostral pubescence not surpassing middle of prorostrum, nearly entire prorostrum glabrous; 4) prostegial teeth short and narrow; 5) tegminal median unsclerotized strip absent; 6) spiculum gastrale with manubrium about as long as arms.Apionidae from South China and helped us in many ways.This species is named after the Russian curculionidologist Boris A. Korotyaev, who has much improved the taxonomy of Harpapion considerandum is short and medially sinuate, and the apical membranous area  is wellFlavopodapion Korotyaev, 1987 )  with the manubrium distinctly shorter than the arms )  resemblender SEM . On the arpapion . Other carpapion  coincidethe arms , the parthe arms . However


In the crystal, molecules are assembled by C—H⋯O hydrogen bonding and π–π interactions between bipy groups [centroid–centroid distances = 3.7686 (16) and 3.7002 (16) Å] into a three-dimensional network. The nitrite anion is equally disordered over two sets of sites.In the title compound, [Cu(NO DOI: 10.1107/S1600536811002571/kp2303Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The CuII ion is coordinated by two N and four O atoms from one bis{[bis(carboxylatomethyl)amino]methyl}phosphinate ligand in a distorted octahedral coordination geometry. The two crystallographically independent potassium ions exhibit different coordination environments. The potassium ion in a general position is heptacoordinated by five carboxylate O atoms, one phosphinate O atom and one water molecule [K—O = 2.718 (3)–3.040 (3) Å], and the potassium ion situated on the twofold rotation axis is hexacoordinated by four carboxylate O atoms and two water molecules [K—O = 2.618 (3)–2.771 (3) Å]. The water molecules are also involved in formation of intermolecular O—H⋯O hydrogen bonds.In the title compound, K DOI: 10.1107/S1600536811053608/cv5214Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


O—H⋯O hydrogen bonding between –COOH and –COO− groups of adjacent molecules and between carboxylate groups and coordinated and uncoordinated water molecules leads to a three-dimensional structure which is further stabilized by weak π–π interactions of adjacent phen ligands with centroid–centroid separations of 4.2932 (1) Å.In the title complex, [Mn(C DOI: 10.1107/S1600536810048142/wm2428Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The thiazolidine ring mean plane makes a dihedral angle of 59.08 (11)° with the pyrrolidine ring mean plane, which in turn makes a dihedral angle of 83.40 (10)° with the cyclopentane ring, indicating that the latter two rings are almost orthogonal to one another. In the crystal, a pair of C—H⋯O hydrogen bonds link the molecules forming inversion dimers. The dimers are linked via π–π interactions [centroid–centroid distance = 3.7764 (10) Å] involving the quinoxaline moieties forming chains propagating along [1-10].In the title compound, [Fe(C DOI: 10.1107/S1600536813022605/su2630Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The Cl atom of the molecule with the smaller C—Sn—C angle interacts weakly with the SnIV atom of the molecule with the wider C—Sn—C angle at an Sn⋯Cl distance of 3.595 (1) Å. Weak intermolecular C—H⋯O and C—H⋯Cl hydrogen bonding is present in the crystal structure.The asymmetric unit of the title complex, [Sn(CH DOI: 10.1107/S1600536810027790/xu2800Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The coordination number of copper is six with four basal O atoms, one axial N atom and one axial Cu atom. Four acetate ligands act as bidentate linker and connect two Cu atoms, with a crystallographic inversion center located at the mid-point of the Cu—Cu bond. The acetate ligands form slightly distorted square planes around each metal ion, while the copper ions are displaced by 0.2089 (4) Å from these planes towards the N atoms. Thus, the Cu—Cu distance is elongated to 2.6378 (7) Å, compared with the 2.2180 (7) Å distance between the two basal planes. The angle between the basal plane and the Cu—N bond is 4.84 (6)°.The title compound, [Cu LCu)2(μ-O2CCH3)4 complexes is the crystal structure of cupric acetate monohydrate (L = water), see: Van Niekerk & Schoening L = 2-amino-benzothiazole, see: Sun et al. L = benzothiazole, see: Ford et al. 4(C7H5NS)2] = 0.032                           wR(F                           2) = 0.075                           S = 0.97                           2784 reflections165 parametersH-atom parameters constrainedmax = 0.45 e Å−3                        Δρmin = −0.45 e Å−3                        Δρ                                 X-AREA  used to solve structure: SIR92  I, global. DOI: 10.1107/S1600536811027140/hg5042Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


II atom in the title complex, [HgI2(C12H6N2O2)], is tetrahedrally coordinated by the N atoms of the chelating 1,10-phenanthroline-5,6-dione ligand and two I atoms. The range of tetrahedral angles is broad, viz. 68.94 (17)° for the chelate angle to a wide 132.627 (15)° for the I—Hg—I angle. The ligand molecule is non-planar with the O atoms lying 0.422 (5) and −0.325 (5) Å out of the plane through the remaining atoms [r.m.s. deviation = 0.068 Å]. Molecules are consolidated in the crystal packing by C—H⋯O interactions.The Hg DOI: 10.1107/S1600536811038748/hg5098Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


A twofold rotation axis passes through the Fe4S4 core, completing the coordination of the four Fe atoms with two pentamethylcyclopentadienyl ligands and two chelating dithiolate ligands. There are three short Fe—Fe and three long Fe⋯Fe contacts in the Fe4S4 core, suggesting bonding and non-bonding interactions, respectively. The Fe—S bonds in the Fe4S4 core range from 2.1523 (5) to 2.2667 (6) Å and are somewhat longer than the Fe—S bonds involving the dithiolate ligand.The title compound, [Fe DOI: Click here for additional data file.10.1107/S1600536813005564/wm2725Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The SnIV atom is displaced out of the C3Sn girdle of the trans-C3SnO2 trigonal-bipyramidal polyhedron in the direction of the covalently-bonded O atom [Sn—O—C = 137.63 (11)°] by 0.247 (1) Å; the geometry is distorted towards an octahedron by a remote O atom of the methoxy subsituent [Sn⋯O = 3.019 (1) Å]The formylmethoxynitrophenoxide ions in the polymeric title compound, [Sn(C DOI: 10.1107/S1600536811016436/jh2283Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The CoII atoms are bridged by two carboxylate O atoms from two DNSA ligands, forming a centrosymmetric dinuclear structure. Neighbouring dinuclear units interact with each other through two types of π–π interactions between the L ligands [shortest centroid–centroid distance = 3.646 (3) Å] and between the L and DNSA ligands [shortest atom-to-centroid distance = 3.794 (3) Å]. N—H⋯O, O—H⋯N and O—H⋯O hydrogen bonds are observed, which lead to a three-dimensional structure.In the title compound, [Co DOI: 10.1107/S1600536810017629/hy2303Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The SnIV atom shows cis-C2SnCl2O trigonal–bipyramidal coordination [C—Sn—C = 157.0 (1)°]; however, two [Me2SnCl2(H2O)] units are linked by a tin–chlorine bridge [Sn←Cl = 3.247 (1) Å] across a center of inversion, generating a dinuclear species, so that the geometry is better regarded as a mer-C2SnCl3O octahedron. The crown ether interacts through O—H⋯O hydrogen with the metal atom through the coordinated water molecules in an outer-sphere manner, generating a hydrogen-bonded chain running along [101]. The 15-crown-5 molecule is disordered over the 2/m site.The Sn, Cl and water O atoms of the title compound, [Sn DOI: 10.1107/S1600536812008781/xu5444Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The conformation of the aliphatic C—C—C—C chain is gauche [torsion angle = −67.7 (8)°]. A weak C—H⋯Br interaction helps to establish the conformation. In the crystal, there is a weak secondary bonding interaction [Te⋯N = 3.456 (11) Å] between the Te atom and the N atom of the solvent molecule, which completes a distorted TeNCBr4 octahedron. Inversion dimers linked by pairs of C—H⋯Br interactions are also observed.In the title compound, [TeBr DOI: Click here for additional data file.10.1107/S1600536812051707/hb7012Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The [SbBr6]3− and [SbBr4]− anions are linked together by two long Sb—Br bonds of 3.2709 (8) and 3.5447 (7) Å into {[Sb2Br10]4−}n chains along [001]. One of the three tetramethylethylendiammonium cations is disordered and was refined using a split model (occupancy ratio 0.58:0.42). The cations and the water molecule are connected to the {[Sb2Br10]4−}n polymeric anions by weak N—H ⋯Br and O(water)—H ⋯Br hydrogen bonding.The asymmetric unit of the title compound {(C DOI: 10.1107/S1600536813028894/nc2318Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The azotetrazolate ligand displays a bridging coordination mode, forming an infinite zigzag chain. Intermolecular O—H⋯O and O—H⋯N hydrogen bonding and offset face-to-face π–π stacking interactions [centroid–centroid distance = 3.4738 (13) Å] lead to a three-dimensional network.In the title compound, {[Fe(C DOI: 10.1107/S1600536810039632/ng5036Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


In the complex cation [Mn2(C2O4)(C10N2H8)4]2+, two MnII atoms are bridged by a bis(bidentate) oxalate ligand, each MnII atom being further coordinated by two bpy ligands in a distorted octahedral geometry. The distance between the two six-coordinated metal atoms is 5.583 (1) Å. π–π stacking interactions [interplanar distances between bpy rings = 3.739 (1) Å] are essential to the supramolecular assembly. There are extensive interionic C—H⋯O interactions between the cations and between the cation and anion. Three of the four perchlorate O atoms are disordered over two sets of sites with occupancy ratios of 0.852 (6):0.148 (6).The unit cell of the title compound, [Mn DOI: 10.1107/S1600536811038475/bv2191Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


In the complex, there is an intramolecular N—H⋯N hydrogen bond. In the crystal, the binuclear units are connected by intermolecular N—H⋯Cl hydrogen bonds, as well as π–π stacking interactions [centroid–centroid distances = 3.526 (2) and 3.696 (2) Å], forming a two-dimensional layered structure parallel to (010).In the centrosymmetric binuclear title complex, [Hg DOI: 10.1107/S1600536811029886/su2294Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The dimeric aggregates thus formed are arranged in rows with their terminal NH2 groups forming N—H⋯O hydrogen bonds with neighbouring aggregates to form a two-dimensional array in the ac plane with an overall T-shaped topology. Layers interdigitate along the b axis being connected by C—H⋯O, C—H⋯π and π–π [centroid–centroid distance = 3.6316 (19) Å] interactions.The constituents of the title co-crystal, C DOI: 10.1107/S1600536810034094/hg2707Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


II atom in the cation of the title salt, [Zn(C2H3O2)(C18H40N4)]ClO4, is five-coordinated by the four N atoms of the macrocycle and the O atom of the monodentate acetate ligand. The N4O donor set is based on a trigonal bipyramid with two N atoms occupying axial positions [N—Zn—N = 170.89 (16)°]. The perchlorate anions are associated with the cations via N—H⋯O hydrogen bonds; intramolecular N—H⋯O(acetate) interactions are also observed. The neutral aggregates are connected into an helical chain along the b axis via N—H⋯O(acetate) hydrogen bonds. The perchlorate anion was found to be disordered about a pseudo-threefold axis: the major component of the disorder had a site occupancy factor of 0.692 (11).The Zn N-substituted derivatives and their metal complexes, see: Bembi et al. (C18H40N4)]ClO4                         = 0.080                           wR(F                           2) = 0.183                           S = 1.29                           4534 reflections320 parameters22 restraintsH atoms treated by a mixture of independent and constrained refinementmax = 0.63 e Å−3                        Δρmin = −0.48 e Å−3                        Δρ                                 CrystalClear  used to solve structure: SHELXS97  global, I. DOI: 10.1107/S1600536811045582/hb6470Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


In each, two κ2N:N-chelating 5-(pyridin-2-yl)pyrazine-2-carbonitrile ligands surround the AgI atom, giving an N4O square-pyramidal coordination geometry with one trifluoroacetate O atom at the apex. The difference between the two lies in the Ag—N bond lengths: in one complex, three normal [range 2.272 (5)–2.552 (5) Å] and one long [2.706 (4) Å] and in the second, two normal [2.254 (5) and 2.290 (5) Å] and two long [2.647 (5) and 2.675 (5) Å] are present. Short intermolecular F⋯F contacts [2.586 (4) Å] and weak π–π stacking interactions [minimum ring centroid separation 3.836 (5) Å] between pyridyl and pyrazinyl rings connect the complex units, forming columns which extend along the b-axis direction.In the asymmetric unit of the title compound, [Ag(C DOI: Click here for additional data file.10.1107/S1600536812040846/zs2235Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The CuII ion has a square-pyramidal coordination sphere, the basal plane being occupied by four N atoms  in a nearly planar array [mean deviation = 0.048 (6) Å] with the CuII ion displaced slightly from the plane [0.167 (5) Å] toward the fifth ligand. The apical position is occupied by a coordinating water molecule [Cu—O = 2.319 (4) Å]. The crystal structure is stabilized by hydrogen-bonding interactions between the water molecules and carbonyl O atoms. The inversion-related square-pyramidal complex molecules pack base-to-base with long Cu⋯Npy contact distances of 3.537 (9) Å, preventing coordination of a sixth ligand.The title compound, [Cu(C II complexes, see: Landee & Turnbull (N3)(H2O)] = 0.063wR(F2) = 0.105S = 1.172258 reflections205 parameters2 restraintsH atoms treated by a mixture of independent and constrained refinementmax = 0.50 e Å−3Δρmin = −0.69 e Å−3ΔρSMART  used to solve structure: SHELXS97  I, New_Global_Publ_Block. DOI: 10.1107/S1600536813027499/sj5358Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The central Fe2S2 core is in a butterfly conformation and each FeI atom has a pseudo-square-pyramidal coordination by three O atoms and two S atoms. The Fe—Fe distance is 2.471 (2) Å and the dihedral angle between the two Fe—S—Fe planes is 78.96 (7)°. The least-squares plane through the –S(C7H6S)S– bridge nearly bisects the molecular structure: except for the two Fe(CO)3 units, all atoms are in this plane with an average deviation from the plane of 0.028 (3) Å. In the crystal, the molecules are linked into chains along [001] by C—H⋯π(arene) interactions.The title compound, [Fe DOI: Click here for additional data file.10.1107/S1600536813009860/vn2067Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The organic ligand is bidentate, coordinating the ZnII atom via the two N atoms. The benzene and pyridine rings are oriented at a dihedral angle of 11.67 (9)°. In the crystal, weak C—H⋯I and C—H⋯O hydrogen bonds are observed, in addition to π–π stacking interactions, with a centroid–centroid distance of 3.72 (5) Å.In the title complex, [ZnI DOI: 10.1107/S1600536812030486/br2207Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The crystal packing can be described as ClO4 tetrahedra and CuN4O2 octahedra alternating in a zigzag fashion along the c axis. The structure is stabilized by intermolecular N—H⋯O and C—H⋯O hydrogen bonds, as well as π–π interactions [centroid–centroid distance = 3.7179 (15) Å].In the title compound, [Cu(ClO DOI: 10.1107/S1600536812029868/zj2084Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The ZnII atoms are connected by the bridging ligands into a layer parallel to (101). O—H⋯O hydrogen bonds link the layers and the dimethylformamide solvent molecules. π–π interactions between the pyridine and benzene rings [centroid–centroid distances = 3.7428 (17) and 3.7619 (17) Å] and intralayer O—H⋯O hydrogen bonds are also present.In the title compound, {[Zn(C DOI: Click here for additional data file.10.1107/S1600536812043838/hy2597Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The 4,4′-bpy ligand has an inversion center at the mid-point of the central C—C bond. The empty side of the metal ion is capped by two carboxylate O atoms from a neighboring molecule, with weak Pb⋯O contacts [Pb⋯O = 3.069 (2) and 3.071 (3) Å]. The crystal structure is stabilized by C—H⋯O hydrogen bonds and π–π stacking interactions between the benzene and pyridine rings [centroid–centroid distance = 3.749 (3) Å].In the title dinuclear complex, [Pb DOI: 10.1107/S1600536811022422/hy2436Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Its structure is isotypic with the CoII analogue. The crystal structure is built up from centrosymmetric dinuclear complex molecules and the structure is reinforced by a net of intermolecular O—H⋯O and N—H⋯O hydrogen bonds. One water molecule is bound to the NiII atom in the octahedral coordination sphere, while the second is part of the intermolecular hydrogen-bond system.The title compound {systematic name: bis(μ II compound, see: Man et al. 4(H2O)2]·2H2O = 0.046wR(F2) = 0.124S = 1.073522 reflections298 parameters6 restraintsH atoms treated by a mixture of independent and constrained refinementmax = 2.44 e Å−3Δρmin = −0.67 e Å−3ΔρCrysAlis PRO  used to solve structure: SHELXS97  global, I. DOI: 10.1107/S1600536812022532/zj2074Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


In the crystal, the complex molecules and uncoordinated water molecules are linked via intermolecular O—H⋯N and O—H⋯O hydrogen bonds, forming a three-dimensional supramolecular network. π–π interactions between the benzene rings provide additional stability of the crystal packing [centroid–centroid distance = 3.792 (2) Å].In the title compound, [Ni(C DOI: 10.1107/S1600536811051063/hy2491Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Each Ni2+ cation is coordinated in a cis-mode by two tridentate N,N′,S-chelating Schiff base ligands, creating a distorted octahedron . The dihedral angle between the mean coordination planes of the two ligands is 86.76 (7)° for one and 89.99 (7)° for the second molecule. π–π interactions between neighbouring pyridine rings with plane-to-plane distances of 3.540 (1) and 3.704 (1) Å are observed.The asymmetric unit of the title compound, [Ni(C DOI: 10.1107/S1600536812017333/wm2622Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The Cu atom binds to four O atoms, resulting in a four-coordinate square-planar complex. The asymmetric unit contains half of the complex, the other half being completed by inversion symmetry. The Cu—O bond lengths have similar distances, viz. 1.9153 (10) Å for the pair opposite (trans) each other and 1.9373 (10) Å for the other (trans) pair. The P—O bond lengths are 1.5250 (11) Å, indicating significant electron delocalization across the O—P—C—P—O atoms in the chelate ring, resulting in a longer P—O bond length when compared to a formal double-bond P=O character (much shorter at approximately 1.47 Å). The two intersecting O—Cu—O angles are both linear at 180°, whilst the remaining L-shaped O—Cu—O bond angles are 88.26 (5) and 91.74 (5)°. The C—C N fragment is slightly distorted from linearity at 177.44 (19)° and the C N bond length of 1.151 (2) Å indicates predominantly triple-bond character.The title complex, [Cu(C For a b al. 2011 and for  al. 2008. For bac al. 2008        26H20NO2P2)2] = 0.033                           wR(F                           2) = 0.086                           S = 1.03                           5640 reflections286 parametersH-atom parameters constrainedmax = 0.49 e Å−3                        Δρmin = −0.32 e Å−3                        Δρ                                 COSMO  I, global. DOI: 10.1107/S1600536811031564/ff2023Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The two axial coordination sites are occupied by carbonyl O atoms of neighbouring glycine molecules. The Cu—O distances for the axial O atoms [2.648 (2) and 2.837 (2) Å] are considerably longer than both the Cu—O [1.9475 (17) and 1.9483 (18) Å] and Cu—N [1.988 (2) and 1.948 (2) Å] distances in the equatorial plane, which indicates a strong Jahn–Teller effect. In the crystal, the two-dimensional networks are arranged parallel to (001) and are linked via N—H⋯O hydrogen bonds, forming a three-dimensional arrangement.The title coordination polymer, [Cu(C DOI: 10.1107/S1600536811031503/su2280Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The four O atoms in the equatorial plane around the CoII cation form a slightly distorted square-planar arrangement, while the slightly distorted octahedral coordination is completed by the two pyridine N atoms of the NA ligands in the axial positions. The dihedral angle between the carboxylate group and the adjacent benzene ring is 29.7 (4)°, while the pyridine and benzene rings are oriented at a dihedral angle of 83.17 (15)°. Intramolecular O—H⋯O hydrogen bonding occurs between the carboxylate group and coordinating water molecule. In the crystal, intermolecular N—H⋯O, O—H⋯O and weak C—H⋯O hydrogen bonds link the molecules into a three-dimensional network.In the title complex, [Co(C N,N-diethylnicotinamide, see: Bigoli et al. 2(C6H6N2O)2(H2O)2] = 0.088wR(F2) = 0.237S = 1.233285 reflections202 parametersH atoms treated by a mixture of independent and constrained refinementmax = 1.42 e Å−3Δρmin = −1.61 e Å−3ΔρAPEX2  used to solve structure: SHELXS97  I, global. DOI: Click here for additional data file.10.1107/S1600536813004984/xu5678Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The dihedral angle between the benzene rings is 24.8 (2)°. In the crystal, molecules are linked into chains along the b axis by weak C—H⋯O and C—H⋯Cl interactions. An intermolecular Cl⋯Cl [3.4564 (19) Å] interaction is present which is shorter than the sum of the van der Waals radii of Cl atoms (3.50 Å).In the title compound, [Ni(C DOI: 10.1107/S1600536812002085/lh5404Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The bpbd molecules bridge the Ag atoms into a chain. Two adjacent chains are further connected by Ag⋯Ag interactions [3.1631 (8) Å], forming a double-chain structure. A π–π interaction [centroid–centroid distance = 3.758 (3) Å] occurs between the double chains. Interchain C—H⋯O hydrogen bonds are observed.In the title compound, [Ag(NO DOI: 10.1107/S1600536810025997/hy2324Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The stereochemistry about each FeCl3O centre is distorted tetrahedral [Fe—Cl = 2.2176 (5)–2.2427 (5) Å and Fe—O = 1.7545 (2) Å]. The Cl atoms are involved in weak anion–cation C—H⋯Cl interactions, giving a network structure.In the title compound (C DOI: 10.1107/S1600536810024098/zs2046Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The complex molecule and the solvent water molecule are located on a twofold rotation axis. In the complex, the MnII ion has a distorted cis-N4O2 octahedral coordination geometry defined by four N atoms of the two chelating 2,2′-bipyrimidine ligands and two O atoms of water molecules. In the crystal, the complex cations, anions and solvent molecules are linked by intermolecular O—H⋯N, O—H⋯O and weak C—H⋯O hydrogen bonds. The ClO4               − anion is disordered over two sites with a site-occupancy factor of 0.512 (12) for the major component.The asymmetric unit of the title compound, [Mn(C II complexes, see: Hong et al. 2(H2O)2](ClO4)2·2CH3NO2·H2O = 0.059                           wR(F                           2) = 0.199                           S = 1.06                           3617 reflections208 parametersH-atom parameters constrainedmax = 1.05 e Å−3                        Δρmin = −0.69 e Å−3                        Δρ                                 SMART  used to solve structure: SHELXS97  global, I. DOI: 10.1107/S1600536811045612/xu5372Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The molecule belongs to the symmetry point group Ch2. The CuII ion is located on a twofold rotation axis and the hydroxide and perchlorate ligands are located on a mirror plane. Within the dinuclear molecule, the Cu⋯Cu separation is 2.8614 (7) Å. The crystal structure exhibits O—H⋯O, C—H⋯O and π–π [centroid–centroid distance = 3.5374 (13) Å] interactions.In the title binuclear copper(II) complex, [Cu DOI: 10.1107/S1600536813027852/bt6938Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The crystal structure is stablized by weak intermolecuar C—H⋯π and N—H⋯π interactions.In the title molecule, C DOI: 10.1107/S1600536810029788/lh5094Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The correct Equation should be j = σ E. An error occurred in Equation 6, j =


The asymmetric unit contains two independent complex molecules as well as two independent benzoic acid solvent molecules, one of which is disordered over two positions with almost equal occupancies [0.504 (5) and 0.496 (5)]. The two complex molecules have similar configurations with the hexacoordinated environment of the PbII atom formed by four carboxylate O atoms of two chelate benzoate ligands and two N atoms of the bipy ligand. The Pb—O bonds involving one of the benzoate ligands are almost coplanar with Pb—N bonds to the bipy ligand [dihedral angles of 12.67 (11) and 14.73 (11)°] ; if the second benzoate ligand is treated as one coordination site, the overall coordination may be represented as a distorted pseudo-square pyramid. Weak intermolecular Pb⋯O interactions [3.046 (3) and 3.359 (3) Å] link each of the complex molecules into two symmetry-independent centrosymmetric dimers. Hydrogen bonds involving the carboxyl H atoms of solvent benzoic acid molecules and metal-coordinated carboxylate O atoms link complex molecules and benzoic acid solvent molecules into insular aggregates.The reaction of lead acetate, benzoic acid and 2,2′-bipyridine (bipy) in aqueous solution yielded the title complex, [Pb(C For the al. 2006; Masaoka al. 2001.       7H5O2)2(C10H8N2)]·C7H6O2                         = 0.035                           wR(F                           2) = 0.081                           S = 1.01                           14302 reflections773 parametersH-atom parameters constrainedmax = 1.17 e Å−3                        Δρmin = −1.13 e Å−3                        Δρ                                 APEX2  used to solve structure: SHELXS97 (Sheldrick, 2008SHELXL97 (Sheldrick, 2008SHELXTL (Sheldrick, 2008SHELXTL.Data collection: 10.1107/S1600536810046489/ya2132sup1.cif            Crystal structure: contains datablocks global, I. DOI: 10.1107/S1600536810046489/ya2132Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Both amine H atoms are involved in N—H⋯S hydrogen bonding, resulting in the formation of layers of interlinked molecules parallel to the ab plane, which are further held together by weak π–π interactions between adjacent complexes, involving one ring of each dipyridylamine unit [centroid–centroid distance = 3.777 (4) Å], forming a three-dimensional assembly.The mononuclear neutral title complex, [Ni(NCS) II, CuII and ZnII complexes with amine ligands, see: Wrzeszcz et al. 2(NCS)2] complexes, see: Wang et al. 2] = 0.066                           wR(F                           2) = 0.161                           S = 1.03                           4107 reflections304 parametersH atoms treated by a mixture of independent and constrained refinementmax = 0.77 e Å−3                        Δρmin = −0.84 e Å−3                        Δρ                                 SMART  used to solve structure: SHELXS97  I, global. DOI: 10.1107/S1600536811050197/pk2364Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The molecular conformation is stabilized by π–π stacking interactions [shortest centroid–centroid distance = 3.600 (1) Å] between substituted benzene rings of different ligands. The crystal packing is characterized by C—H⋯O and C—H⋯Cl interactions involving the chloroform solvent molecules.In the title compound, [PdCl DOI: Click here for additional data file.10.1107/S1600536812045801/zq2184Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The effective cone angles for the two phosphane ligands are 160 and 169°. C—H⋯Cl interactions generate infinite long chains along [01-1]. Additional C—H⋯π and π–π stacking interactions [centroid–centroid distance = 4.2499 (15) Å and ring slippage = 2.386 Å] are observed.In the mononuclear title compound,  DOI: Click here for additional data file.10.1107/S160053681204696X/ng5305Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


In the crystal, weak C—H⋯S hydrogen bonds and π–π stacking interactions between parallel pyridine rings of adjacent molecules [centroid–centroid distance = 3.653 (3) Å] link the molecules into a two-dimensional supramolecular architecture. The structure contains voids of 124 (9) Å3, which are free of solvent molecules.In the title complex, [Fe(NCS) For rel al. 2008; Min et  al. 2008; Phan et al. 2012; Wei et  al. 2011.2(C18H18N4)] = 0.069wR(F2) = 0.203S = 1.114456 reflections283 parametersH atoms treated by a mixture of independent and constrained refinementmax = 0.42 e Å−3Δρmin = −0.47 e Å−3ΔρCrystalClear  used to solve structure: SHELXTL  I, global. DOI: 10.1107/S1600536813034818/xu5762Isup2.hklStructure factors: contains datablock(s) I. DOI: CCDC reference:  crystallographic information; 3D view; checkCIF reportAdditional supporting information:


The CuII atom occupies a four-coordinate pseudo-tetrahedral environment bound to one S atom, one imine N atom and one pyridine N atom from the N1,N2-bis(pyridin-2-yl)hydrazine-1,2-dicarbothioamidate ligand, and one Cl− anion. The metal atoms are connected via the bis-tridentate ligand into a binuclear structure. The molecule is bow-shaped with the pyridine rings inclined to one another by 51.56 (14)°. In the crystal, N—H⋯Cl hydrogen bonds lead to the formation of ribbons propagating along [001]. These ribbons are connected via C—H⋯Cl, C—H⋯S and π–π interactions [centroid–centroid distance = 3.6146 (19) Å], leading to the formation of a three-dimensional structure.The binuclear title compound, [Cu Cl2] = 0.024wR(F2) = 0.068S = 1.071561 reflections110 parametersH-atom parameters constrainedmax = 0.73 e Å−3Δρmin = −0.34 e Å−3ΔρSMART  used to solve structure: SHELXS97  global, I. DOI: Click here for additional data file.10.1107/S1600536812048659/su2393Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The two pyridyl planes are inclined with dihedral angles of 59.1 (2) and 61.84 (19)° with respect to the PtCl2N2 plane. In the crystal, the complex molecules display inter- and intramolecular π–π stacking interactions, with centroid-centroid distances of 3.806 (5)–3.845 (5) Å, which form a one-dimensional column structure along the a axis.In the title complex,  DOI: 10.1107/S160053681004393X/is2622Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The environment of Cu2+ ion is a distorted octahedron. The axial bond lengths between the CuII ion and the N atoms are considerably longer than the equatorial bond distances between the CuII ion and the N atoms of the ethylenediamine ligand as a consequence of the Jahn–Teller effect. The molecular conformation is stabilized by intramolecular N—H⋯O hydrogen bonds. In the crystal, molecules are connected by intermolecular N—H⋯O hydrogen bonds into chains running along the a axis.In the crystal structure of the title compound, [Cu(C H)-one 2,2-dioxide], see: Clauss & Jensen 2(C2H8N2)2] = 0.024                           wR(F                           2) = 0.065                           S = 1.09                           2023 reflections150 parametersH atoms treated by a mixture of independent and constrained refinementmax = 0.23 e Å−3                        Δρmin = −0.25 e Å−3                        Δρ                                 X-AREA  I, global. DOI: 10.1107/S1600536811051658/bt5731Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The HgII atoms are four-coordinated in a distorted tetrahedral geometry by two N atoms from a 2,2′-dimethyl-4,4′-bi-1,3-thiazole ligand and two Br atoms. In the crystal structure, intermolecular C—H⋯Br hydrogen bonds and π–π contacts between the thiazole rings [centroid–centroid distances = 3.670 (3) and 3.614 (2) Å] stabilize the structure.The asymmetric unit of the title compound, [HgBr DOI: 10.1107/S1600536810051494/hy2386Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


II ion in the title complex, [PtI2(C10H9N3)], is four-coordinated in a distorted square-planar environment defined by the two pyridine N atoms of the chelating di-2-pyridylamine (dpa) ligand and by two I− anions. The dpa ligand is not planar, the dihedral angle between the pyridine rings being 52.8 (3)°. Pairs of complex molecules are assembled through intermolecular N—H⋯I hydrogen bonds, forming a dimer-type species. The complexes are stacked in columns along the b axis and display several intermolecular π–π interactions between the pyridine rings, with a shortest ring centroid–centroid distance of 3.997 (5) Å.The Pt II complex [PtCl2(dpa)], see: Li & Liu ] = 0.031wR(F2) = 0.077S = 1.072527 reflections145 parametersH-atom parameters constrainedmax = 1.47 e Å−3Δρmin = −1.31 e Å−3ΔρSMART  used to solve structure: SHELXS97  global, I. DOI: 10.1107/S1600536812011907/wm2603Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


In the ligand, the hydroxy group is involved in an intramolecular O—H⋯N hydrogen bond and the two aromatic rings form a dihedral angle of 5.5 (1)°. In the crystal, weak intermolecular C—H⋯O hydrogen bonds and π–π interactions between the aromatic rings [centroid–centroid distance = 3.816 (3) Å] link the molecules into centrosymmetric dimers.In the title compound, [Sn(CH DOI: 10.1107/S1600536811025621/cv5115Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


IV atom in the title complex, [V(C19H17N3O2S)O], is coordinated by two N and two O atoms of the dianionic tetradentate Schiff base ligand and the terminal oxide O atom. The N2O3 donor set defines a square-pyramidal coordination geometry with the oxide O atom in the apical site. Some buckling in the tetradentate ligand is indicated by the dihedral angle of 17.92 (19)° between the six-membered chelate rings. Supramolecular chains are formed along the b axis via C—H⋯O contacts in the crystal. The chains are connected into a layer in the ab plane via C—H⋯π interactions. The atoms comprising the –SCH2—CH=CH2 and methyl substituents were found to be disordered in a 0.916 (2):0.088 (2) ratio. The crystal studied was found to be twinned by nonmerohedry with a 28.1 (4)% minor twin component.The V O] = 0.076wR(F2) = 0.191S = 1.204134 reflections257 parameters3 restraintsH-atom parameters constrainedmax = 0.98 e Å−3Δρmin = −0.94 e Å−3ΔρCrysAlis PRO  used to solve structure: SHELXS97  global, I. DOI: 10.1107/S1600536812029819/hb6874Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


Two dppm ligands, two dpp ligands and two trifluoroacetate anions bridge four metal atoms, forming a centrosymmetric tetranuclear complex. Intramolecular C—H⋯O hydrogen bonds and a weak π–π interaction [centroid–centroid distance = 3.9804 (13) Å] are also observed.In the cation of the title compound, [Ag DOI: 10.1107/S1600536811045466/rz2658Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


It is chelated by four N atoms of two different 5,5′-dimethyl-2,2′-bipyridyl (dmbpy) ligands in axial and equatorial positions, and by two O atoms of a carbonate anion completing the equatorial positions. Although the water molecules are disordered and their H atoms were not located, there are typical O⋯O distances between 2.8 and 3.0 Å, indicating O—H⋯O hydrogen bonding. The crystal packing is consolidated by C—H⋯O and C—H⋯Br hydrogen bonds, as well as π–π stacking interactions between adjacent pyridine rings of the dmbpy ligands, with centroid–centroid distances of 3.694 (3) and 3.7053 (3) Å.In the title complex, [Co(CO DOI: 10.1107/S160053681200894X/wm2590Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The organic cation is essentially planar, with a maximum deviation of 0.013 (1) Å. In the crystal structure, the ions and molecules are linked into a pseudo-layered three-dimensional supramolecular network via O—H⋯O and N—H⋯O hydrogen bonds. Weak intermolecular π–π interactions further stabilize the crystal structure [centroid–centroid distance = 3.5231 (4) Å].In the title compound, (C DOI: 10.1107/S1600536810026693/hb5536Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


In the crystal, the molecules are packed via π–π stacking interactions alternating between imidazole and benzene rings [mean interplanar distances = 3.754 (3) and 3.624 (3) Å]. An intermolecular N—H⋯O hydrogen bond links the dimers together. The two-coordinate CuI atom displays an O—Cu—N bond angle of 176.3 (2)°. The Cu⋯Cu distance within the dimer is 5.100 (2) Å.The dimeric title complex, [Cu DOI: 10.1107/S1600536810046040/om2365Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


One of the water molecules is coordinated with the ZnII ion and this molecule forms an O—H⋯O interaction with the lattice water molecule. The pyridine-2,6-dicarboxylate ligand is almost planar (r.m.s. deviation = 0.0242 Å). In the crystal, C—H⋯O, C—H⋯N, O—H⋯O and N—H⋯O hydrogen bonds are present.In the title compound, [Zn(C DOI: 10.1107/S1600536811015571/zj2009Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The metal atom is surrounded by the two dimethyl sulfoxide (DMSO) ligands, each coordinating through the O atom, and two anionic saccharinate  ligands coordinating through the N atom. The tetrahedral geometry is slightly distorted as is evident from the N—Zn—N bond angle of 113.85 (6)°, the O—Zn—O bond angle of 98.92 (6)° and O—Zn—N bond angles of 116.96 (6) and 103.93 (6)°. The Zn—N bond lengths are 1.9742 (15) and 2.0025 (16) Å. The Zn—O bond lengths are 1.9806 (14) Å and 1.9468 (14) Å. The DMSO ligand coordinates through the lone pair of electrons on the O atom, as can be seen from the Zn—O—S bond angle of 131.30 (8)°.The title compound, [Zn(C DOI: 10.1107/S1600536811045703/fj2470Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


One uncoordinated dmphen molecule is situated on a crystallographic twofold axis and the asymmetric unit is completed by one water molecule. In the crystal, molecules form a one-dimensional framework in the [001] direction through O—H⋯N and O—H⋯O hydrogen bonds. The crystal packing is further stabilized by π–π stacking interactions between the dmphen rings of neighboring molecules, with a centroid–centroid separation of 3.5641 (8) Å and a partially overlapped arrangement of parallel dmphen rings with a distance of 3.407 (2) Å.In the title compound, 2[Co(C DOI: 10.1107/S1600536811035148/bh2369Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The complex molecules are connected into a one-dimensional structure along [001] via N—H⋯N hydrogen bonds and further into a three-dimensional structure via N—H⋯Cl hydrogen bonds. π–π interactions between the pyrazine and benzene rings and between the benzene rings [centroid–centroid distances = 3.5635 (15) and 3.9128 (16) Å] are present.In the title complex, [CuCl(C DOI: 10.1107/S1600536812005582/hy2514Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The distorted octahedral trans-N2S4 donor set for the Cd2+ ion is defined by two symmetrically S,S′-chelating dithiocarbamate anions and two pyridine N atoms derived from two monodentate 4-pyridinealdazine (or 4-{[(pyridin-4-ylmethylidene)hydrazinylidene}methyl]pyridine) molecules [dihedral angle between the aromatic rings = 17.33 (8)°]. In the crystal, molecules are connected into a supramolecular chain via O—H⋯N hydrogen bonds involving the 4-pyridinealdazine N atoms not involved in coordination to cadmium. Weak C—H⋯O and C—H⋯N links consolidate the packing.The complete molecule of the title compound, [Cd(C DOI: 10.1107/S1600536811004508/hb5795Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The NiII atoms are bridged by the 3-aminopyridine ligands [Ni⋯N = 6.7048 (3) Å] and Cl− atoms [Ni⋯N = 3.5698 (3) Å], forming  two-dimensional nets. The DMF solvent molecule and the non-bridged Cl− ions participate in N—H⋯O and N—H⋯Cl hydrogen bonds with the amino groups. The title compound, {[NiCl DOI: 10.1107/S1600536812036215/xu5609Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


II atom in the title salt, [Cu(C10H24N4)(H2O)2](C6F5CO2)2·2H2O, is chelated by the four N atoms of the 1,4,8,11-tetraazacyclotetradecane (cyclam) ligand and is coordinated by two water molecules in a Jahn–Teller-type tetragonally distorted octahedral geometry. The CuII atom lies on a center of inversion. The cations, anions and uncoordinated water molecules are linked by N—H⋯O and O—H⋯O hydrogen bonds, forming a layer structure parallel to (001).The Cu DOI: 10.1107/S1600536810025705/bt5287Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The Co atom is 0.0187 (8) Å out of the mean plane of the four equatorial N atoms. The structure has an O⋯H⋯O bridge, which is very common in cobaloxime derivatives, with O⋯H distances of 1.24 (2) and 1.25 (2) Å. In the title compound, [Co(C DOI: 10.1107/S1600536811051397/vn2023Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


II ion in the title complex, [PdI2(C10H9N3)], is four-coordinated in a distorted square-planar environment defined by the two pyridine N atoms of the chelating di-2-pyridylamine (dpa) ligand and two I− anions. The dpa ligand is not planar, the dihedral angle between the pyridine rings being 51.2 (2)°. In the crystal, pairs of complex molecules are assembled through intermolecular N—H⋯I hydrogen bonds into dimeric species. The complexes are stacked in columns along the b axis and display several intermolecular π–π interactions between the pyridine rings, with a shortest ring centroid–centroid distance of 3.957 (3) Å.The Pd II complex [PtI2(dpa)], see: Ha ] = 0.028wR(F2) = 0.065S = 1.013152 reflections145 parametersH-atom parameters constrainedmax = 1.17 e Å−3Δρmin = −0.78 e Å−3ΔρSMART  used to solve structure: SHELXS97  global, I. DOI: 10.1107/S1600536812033946/tk5137Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The four O atoms in the equatorial plane form a slightly distorted square-planar arrangement, while the slightly distorted octahedral coordination is completed by the two N atoms of the NA ligands in the axial positions. The dihedral angle between the carboxylate group and the adjacent benzene ring is 9.14 (9)°, while the pyridine and benzene rings are oriented at a dihedral angle of 82.18 (8)°. In the crystal, N—H⋯O and O—H⋯O hydrogen bonds link the molecules into a two-dimensional network lying parallel to (101). π–π stacking between parallel pyridine rings of adjacent molecules [centroid–centroid distance = 3.7765 (8) Å] further stabilizes the crystal structure.In the title complex, [Co(C N,N-diethylnicotinamide, see: Bigoli et al. 2(C6H6N2O)2(H2O)2] = 0.027wR(F2) = 0.074S = 1.112797 reflections204 parameters52 restraintsH atoms treated by a mixture of independent and constrained refinementmax = 0.32 e Å−3Δρmin = −0.33 e Å−3ΔρAPEX2  used to solve structure: SHELXS97  I, global. DOI: Click here for additional data file.10.1107/S160053681301458X/su2606Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


II atom in the title complex, [Ni(C8H5N5O3)(C2H8N2)(H2O)]·2H2O, is six-coordinated in a distorted octahedral geometry by a tridentate 2-amino-7-methyl-4-oxidopteridine-6-carboxylate (pterin) ligand, a bidentate ancillary ethane-1,2-diamine (en) ligand and a water molecule. The pterin ligand forms two chelate rings. The en and pterin ligands are arranged nearly orthogonally [dihedral angle between the mean plane of the en molecule and the pterin ring = 77.1 (1)°]. N—H⋯O, O—H⋯N and O—H⋯O hydrogen bonds link the complex molecules and lattice water molecules into a three-dimensional network. π–π interactions are observed between the pyrazine and pyrimidine rings [centroid–centroid distance = 3.437 (2) Å].The Ni DOI: Click here for additional data file.10.1107/S160053681300069X/hy2612Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


In the cations, the ZnII ions have distorted trigonal–bipyramidal environments formed by four N atoms from two 2-chloro-1,10-phenanthroline (cphen) ligands and one N atom from a thiocyanate ligand. The ZnII atoms in the complex anions also have distorted trigonal–bipyramidal environments, formed by two N atoms from a cphen ligand and three N atoms from three thiocyanato ligands. The crystal packing exhibits π–π interactions between the rings of the cphen ligands [shortest centroid–centroid distance = 3.586 (5) Å] and short intermolecular S⋯Cl [3.395 (5) Å] and S⋯S [3.440 (4) Å] contacts.The asymmetric unit of the title compound, [Zn(NCS)(C DOI: 10.1107/S1600536812002280/cv5234Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


In the complex, the MnII ion is six-coordinated in a distorted octahedral environment defined by four N atoms of the two chelating 2,2′-bipyrimidine (bpym) ligands, one I− anion and one O atom of a water ligand. The dihedral angle between the least-squares planes of the two bpym ligands [maximum deviation = 0.092 (7) Å] is 79.9 (1)°. In the crystal, the complex, anion and solvent water molecule are linked by intermolecular O—H⋯O, O—H⋯I and O—H⋯N hydrogen bonds.The asymmetric unit of the title compound, [MnI(C II complexes, see: Hong et al. 2(H2O)]I·H2O = 0.052                           wR(F                           2) = 0.126                           S = 1.07                           5309 reflections262 parametersH-atom parameters constrainedmax = 1.69 e Å−3                        Δρmin = −1.98 e Å−3                        Δρ                                 SMART  used to solve structure: SHELXS97  I. DOI: 10.1107/S160053681103875X/bv2192Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The two NdIII atoms are linked by two bridging bidentate carboxylate groups and two bidentate chelating bridging carboxylate groups, with an Nd⋯Nd separation of 4.1259 (4) Å. Each NdIII atom is nine-coordinated by five O atoms from the carboxylate groups of the zwitterionic azaniumylbenzoate ligands and four from water molecules. They adopt a distorted tricapped trigonal–prismatic arrangement. The dihedral angle between the mean planes of the benzene ring and the carboxlate groups are 7.7 (6) and 24.4 (5)°. The two carboxylate groups are almost perpendicular to one another with a dihedral angle of 84.0 (7)°, while the two benzene rings are inclined to one another by 81.8 (2)°. The molecular packing is stabilized by O—Hwater⋯Cl, O—Hwater⋯N, N—H⋯Cl, N—H⋯O, and O—Hwater⋯O hydrogen bonds and π–π stacking interactions [centroid–centroid distance = 3.500 (3) Å] between symmetry-related benzene rings. All of the Cl− anions and the uncoordinated water molecules are disordered over two sets of sites with different occupancy ratios.The structure of the title compound, [Nd DOI: 10.1107/S1600536811012700/su2265Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


In the crystal, the molecules are linked by intermolecular π–π interactions between the triazole and benzene rings [centroid–centroid distance = 3.794 (3) Å] into a band extending in [010]. These bands are further connected by C—H⋯N hydrogen bonds into a two-dimensional network parallel to (100).In the title complex, [HgI DOI: 10.1107/S160053681302518X/hy2634Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The asymmetric unit is completed by one 4-methoxybenzoate anion, one nicotinamide (NA) ligand and one coordinated and one uncoordinated water molecule. All ligands act in a monodentate mode. The four O atoms in the equatorial plane around the CoII ion form a slightly distorted square-planar arrangement, while the slightly distorted octahedral coordination is completed by the two pyridine N atoms of the NA ligands in the axial positions. The dihedral angle between the carboxylate group and the attached benzene ring is 6.47 (7)°, while the pyridine and benzene rings are oriented at a dihedral angle of 72.80 (4)°. An O—H⋯O hydrogen bond links the uncoordinated water molecule to one of the carboxylate groups. In the crystal structure, intermolecular O—H⋯O, N—H⋯O and C—H⋯O hydrogen bonds link the molecules into a three-dimensional network.In the mononuclear title compound, [Co(C N,N-diethylnicotinamide, see: Bigoli et al. 2(C6H6N2O)2(H2O)2]·2H2O = 0.027                           wR(F                           2) = 0.074                           S = 1.07                           3776 reflections230 parametersH atoms treated by a mixture of independent and constrained refinementmax = 0.55 e Å−3                        Δρmin = −0.31 e Å−3                        Δρ                                 APEX2  used to solve structure: SHELXS97 (Sheldrick, 2008SHELXL97 (Sheldrick, 2008ORTEP-3 for Windows (Farrugia, 1997WinGX (Farrugia, 1999PLATON (Spek, 2009Data collection: 10.1107/S1600536810026462/cv2740sup1.cif            Crystal structure: contains datablocks I, global. DOI: 10.1107/S1600536810026462/cv2740Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Three Cl atoms of the [ZnCl4]2− tetrahedron act as acceptors in N—H⋯Cl hydrogen bonds. The hydrogen bonds, both of which are bifurcated, lead to the formation of a three-dimensional network. Within the network, intermolecular π–π stacking interactions with a centroid–centroid distance of 3.5911 (7) Å arrange the 4-(dimethylamino)pyridinium cations into antiparallel dimers.In the title compound, (C DOI: 10.1107/S1600536811005010/rk2262Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The ppy ligands are not planar, the dihedral angles between the pyridine and benzene rings being 49.0 (3) and 47.3 (3)°. In the crystal, the complex molecules are stacked in columns along the a axis. In the columns, there are numerous intra- and intermolecular π–π interactions between the six-membered rings, the shortest ring centroid–centroid distance being 3.774 (6) Å.In the title complex, [PtBr II and PdII complexes, cis-[PtCl2(ppy)2] and trans-[PdX2(ppy)2] (X = Cl or I), see: Yoshinari et al. 2] = 0.028wR(F2) = 0.068S = 1.042931 reflections244 parameters2 restraintsH-atom parameters constrainedmax = 1.73 e Å−3Δρmin = −0.93 e Å−3ΔρAbsolute structure: Flack 1983, 856 FriFlack parameter: −0.037 (13)SMART  used to solve structure: SHELXS97  global. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials: