Information card for entry 2312018

Structure parameters

• Chemical name: {μ~2~-<i>N</i>,<i>N</i>'-bis[(pyridin-3-yl)methyl]ethanediamide}tetrakis(dimethylcarbamodithioato)dizinc(II) dimethylformamide disolvate
• Formula: C32 H52 N10 O4 S8 Zn2
• Calculated formula: C32 H52 N10 O4 S8 Zn2
• SMILES: C1(=[S][Zn]2(S1)([S]=C(N(C)C)S2)[n]1cccc(CNC(=O)C(=O)NCc2c[n](ccc2)[Zn]23(SC(=[S]2)N(C)C)SC(=[S]3)N(C)C)c1)N(C)C.CN(C)C=O.N(C=O)(C)C
• Title of publication: Crystal structures of {μ₂-<i>N</i>,<i>N</i>'-bis-[(pyridin-3-yl)meth-yl]ethanedi-amide}tetra-kis-(di-methyl-carbamodi-thio-ato)dizinc(II) di-methyl-formamide disolvate and {μ₂-<i>N</i>,<i>N</i>'-bis-[(pyridin-3-yl)meth-yl]ethanedi-amide}tetra-kis-(di-<i>n</i>-propyl-carbamodi-thio-ato)dizinc(II).
• Authors of publication: Arman, Hadi D.; Poplaukhin, Pavel; Tiekink, Edward R. T.
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2017
• Journal volume: 73
• Journal issue: Pt 10
• Pages of publication: 1501 - 1507
• a: 9.0998 ± 0.0008 Å
• b: 9.3544 ± 0.001 Å
• c: 15.508 ± 0.002 Å
• α: 84.176 ± 0.001°
• β: 75.54 ± 0.008°
• γ: 61.067 ± 0.006°
• Cell volume: 1118.4 ± 0.2 ų
• Cell temperature: 98 ± 2 K
• Ambient diffraction temperature: 98 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0323
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0824
• Weighted residual factors for all reflections included in the refinement: 0.0839
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes