Information card for entry 2226321

Structure parameters

• Chemical name: Tris[bis(2-methylpropyl)dithiophosphinato]bismuth(III)
• Formula: C24 H54 Bi P3 S6
• Calculated formula: C24 H54 Bi P3 S6
• SMILES: [Bi]123([S]=P(S1)(CC(C)C)CC(C)C)([S]=P(S2)(CC(C)C)CC(C)C)[S]=P(S3)(CC(C)C)CC(C)C
• Title of publication: Tris[bis(2-methylpropyl)dithiophosphinato]bismuth(III)
• Authors of publication: Shad, Hazoor A.; Malik, M. Azad; Tahir, M. Nawaz; Chohan, Zahid H.; Thebo, Khalid H.; Helliwell, Madeleine
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 6
• Pages of publication: m605
• a: 13.954 ± 0.002 Å
• b: 10.8719 ± 0.0016 Å
• c: 27.648 ± 0.003 Å
• α: 90°
• β: 119.312 ± 0.006°
• γ: 90°
• Cell volume: 3657.4 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.054
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.0674
• Weighted residual factors for all reflections included in the refinement: 0.072
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes