Information card for entry 2207613

Structure parameters

• Chemical name: Triphenyltin(IV) N-benylpiperazinyldithiocarbamate
• Formula: C30 H30 N2 S2 Sn
• Calculated formula: C30 H30 N2 S2 Sn
• SMILES: [Sn]1(SC(=[S]1)N1CCN(CC1)Cc1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: (4-Benzylpiperazine-1-carbodithioato)triphenyltin(IV)
• Authors of publication: Feng Li; Han-Dong Yin; Da-Qi Wang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 12
• Pages of publication: m2464 - m2465
• a: 19.063 ± 0.004 Å
• b: 9.6915 ± 0.0019 Å
• c: 14.968 ± 0.003 Å
• α: 90°
• β: 96.114 ± 0.003°
• γ: 90°
• Cell volume: 2749.6 ± 1 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: 0.0833
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.0911
• Weighted residual factors for all reflections included in the refinement: 0.1099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes