Information card for entry 4303665

Structure parameters

• Formula: C90 H90 Bi4 Li2 O12
• Calculated formula: C90 H90 Bi4 Li2 O12
• SMILES: [Bi]12345[O](c6ccccc6CC=C)[Li]67[O]([Bi]89%10([O]([Bi]%11([O]2c2ccccc2CC=C)[O](c2ccccc2CC=C)[Li]([O]1c1ccccc1CC=C)([O]38%11)[O]9c1ccccc1CC=C)c1ccccc1CC=C)[O]([Bi]([O]6c1ccccc1CC=C)([O]4c1ccccc1CC=C)[O]57%10)c1ccccc1CC=C)c1ccccc1CC=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: 12.6805 ± 0.0009 Å
• b: 13.1859 ± 0.0009 Å
• c: 14.0822 ± 0.001 Å
• α: 109.931 ± 0.001°
• β: 104.192 ± 0.001°
• γ: 101.788 ± 0.001°
• Cell volume: 2036.2 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0247
• Residual factor for significantly intense reflections: 0.0208
• Weighted residual factors for significantly intense reflections: 0.0461
• Weighted residual factors for all reflections included in the refinement: 0.0472
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No