Information card for entry 2220000

Structure parameters

• Chemical name: catena-Poly[[(<i>N</i>,<i>N</i>-diethyldithiocarbamato- κ^2^<i>S</i>:<i>S</i>')phenylbismuth(III)]-μ-chlorido]
• Formula: C11 H15 Bi Cl N S2
• Calculated formula: C11 H15 Bi Cl N S2
• SMILES: [Bi]1([S]=C(N(CC)CC)S1)(c1ccccc1)[Cl][Bi]1([S]=C(N(CC)CC)S1)(c1ccccc1)Cl
• Title of publication: <i>catena</i>-Poly[[(<i>N</i>,<i>N</i>-diethyldithiocarbamato-κ^2^<i>S</i>:<i>S</i>')phenylbismuth(III)]-μ-chlorido]
• Authors of publication: Cui, Liansheng; Yin, Handong; Yang, Minglei; Quan, Li; Wang, Daqi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 11
• Pages of publication: m1452
• a: 9.2029 ± 0.0009 Å
• b: 18.1432 ± 0.0017 Å
• c: 9.0779 ± 0.0008 Å
• α: 90°
• β: 106.811 ± 0.002°
• γ: 90°
• Cell volume: 1451 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• 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: 0.0703
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for significantly intense reflections: 0.138
• Weighted residual factors for all reflections included in the refinement: 0.1489
• Goodness-of-fit parameter for all reflections included in the refinement: 0.918
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes