Information card for entry 2210685

Structure parameters

• Chemical name: Tris(N,N-dibenzylcarbamato-κ^2^S,S')bismuth(III)
• Formula: C45 H42 Bi N3 S6
• Calculated formula: C45 H42 Bi N3 S6
• SMILES: [Bi]123(SC(=[S]1)N(Cc1ccccc1)Cc1ccccc1)(SC(=[S]2)N(Cc1ccccc1)Cc1ccccc1)SC(=[S]3)N(Cc1ccccc1)Cc1ccccc1
• Title of publication: Tris(<i>N</i>,<i>N</i>-dibenzylcarbamato-κ^2^<i>S</i>,<i>S</i>')bismuth(III)
• Authors of publication: Feng Li; Han-Dong Yin; Jun Zhai; Da-Qi Wang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 10
• Pages of publication: m2552 - m2554
• a: 10.004 ± 0.009 Å
• b: 13.319 ± 0.012 Å
• c: 17.439 ± 0.016 Å
• α: 93.785 ± 0.013°
• β: 99.392 ± 0.013°
• γ: 106.116 ± 0.013°
• Cell volume: 2187 ± 3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1679
• Residual factor for significantly intense reflections: 0.0799
• Weighted residual factors for significantly intense reflections: 0.1762
• Weighted residual factors for all reflections included in the refinement: 0.2225
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes