Information card for entry 4303660

Structure parameters

• Formula: C77 H102 Bi4 Br6 O8
• Calculated formula: C72 H90 Bi4 Br6 O8
• SMILES: c12c(cc(cc1C(C)C)Br)C(=C)C[Bi]13[O]([Bi]([O]21)(Oc1c(cc(Br)cc1C(C)C)C(C)C)Oc1c(cc(cc1C(C)C)Br)C(C)C)[Bi]12CC(=C)c4c(c(cc(c4)Br)C(C)C)[O]2[Bi]([O]31)(Oc1c(cc(Br)cc1C(C)C)C(C)C)Oc1c(cc(Br)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: 12.7718 ± 0.0006 Å
• b: 13.2642 ± 0.0006 Å
• c: 14.9861 ± 0.0006 Å
• α: 115.162 ± 0.001°
• β: 97.321 ± 0.001°
• γ: 92.25 ± 0.001°
• Cell volume: 2266.74 ± 0.17 ų
• Cell temperature: 218 ± 2 K
• Ambient diffraction temperature: 218 ± 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: 0.0349
• Residual factor for significantly intense reflections: 0.0283
• Weighted residual factors for significantly intense reflections: 0.0699
• Weighted residual factors for all reflections included in the refinement: 0.0716
• 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: No