Information card for entry 2201731

Structure parameters

• Chemical name: Bis(μ-N-methyl-N-phenyldithiocarbamato)[bis(μ-N-methyl-N- phenyldithiocarbamato)zinc(II)]
• Formula: C32 H32 N4 S8 Zn2
• Calculated formula: C32 H32 N4 S8 Zn2
• SMILES: C1(N(C)c2ccccc2)=[S][Zn]2([S]=C(N(C)c3ccccc3)S[Zn]3([S]=C(N(C)c4ccccc4)S2)[S]=C(N(C)c2ccccc2)S3)S1
• Title of publication: Bis(μ-<i>N</i>-methyl-<i>N</i>-phenyldithiocarbamato)[bis(<i>N</i>-methyl-<i>N</i>-phenyldithiocarbamato)zinc(II)]
• Authors of publication: Baba, Ibrahim; Lee, Lay Hoon; Farina, Yang; Othman, A. Hamid; Ibrahim, Abdul Razak; Usman, Awang; Fun, Hoong-Kun; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 12
• Pages of publication: m744 - m745
• a: 12.7276 ± 0.0001 Å
• b: 6.6693 ± 0.0001 Å
• c: 22.2508 ± 0.0001 Å
• α: 90°
• β: 100.669 ± 0.001°
• γ: 90°
• Cell volume: 1856.09 ± 0.03 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.065
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.106
• Weighted residual factors for all reflections included in the refinement: 0.114
• Goodness-of-fit parameter for all reflections included in the refinement: 0.95
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes