Information card for entry 2312019

Structure parameters

• Chemical name: {μ~2~-<i>N</i>,<i>N</i>'-Bis[(pyridin-3-yl)methyl]ethanediamide}tetrakis(di-<i>n</i>-propylcarbamodithioato)dizinc(II)
• Formula: C42 H70 N8 O2 S8 Zn2
• Calculated formula: C42 H70 N8 O2 S8 Zn2
• SMILES: C1(=[S][Zn]2([n]3cc(ccc3)CNC(=O)C(=O)NCc3ccc[n](c3)[Zn]34([S]=C(N(CCC)CCC)S3)SC(=[S]4)N(CCC)CCC)(S1)[S]=C(N(CCC)CCC)S2)N(CCC)CCC
• 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: 31.048 ± 0.004 Å
• b: 16.923 ± 0.002 Å
• c: 10.3453 ± 0.0014 Å
• α: 90°
• β: 100.361 ± 0.002°
• γ: 90°
• Cell volume: 5347 ± 1.2 ų
• Cell temperature: 98 ± 2 K
• Ambient diffraction temperature: 98 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0362
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0755
• Weighted residual factors for all reflections included in the refinement: 0.0773
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes