Information card for entry 4303661

Structure parameters

• Formula: C36 H48 Bi Cl3 O3
• Calculated formula: C36 H48 Bi Cl3 O3
• SMILES: [Bi](Oc1c(cc(Cl)cc1C(C)C)C(C)C)(Oc1c(cc(Cl)cc1C(C)C)C(C)C)Oc1c(cc(Cl)cc1C(C)C)C(C)C
• Title of publication: Bismuth Aryloxides
• Authors of publication: Xiaodi Kou; Xiaoyu Wang; Daniel Mendoza-Espinosa; Lev N. Zakharov; Arnold L. Rheingold; William H. Watson; Kimberly A. Brien; L. Kasun Jayarathna; Tracy A. Hanna
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 11002 - 11016
• a: 9.344 ± 0.002 Å
• b: 10.755 ± 0.003 Å
• c: 18.738 ± 0.004 Å
• α: 86.328 ± 0.004°
• β: 79.338 ± 0.004°
• γ: 80.079 ± 0.004°
• Cell volume: 1821.9 ± 0.8 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 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: 0.0255
• Residual factor for significantly intense reflections: 0.0225
• Weighted residual factors for significantly intense reflections: 0.0542
• Weighted residual factors for all reflections included in the refinement: 0.055
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No