Information card for entry 4105922

Structure parameters

• Formula: C32 H45 Bi N2 O
• Calculated formula: C32 H45 Bi N2 O
• SMILES: [Bi]12([N](Cc3c2c(ccc3)C[N]1(C)C)(C)C)c1cc(c([O-])c(c1)C(C)(C)C)C(C)(C)C.c1ccccc1
• Title of publication: Facile Bismuth-Oxygen Bond Cleavage, C-H Activation, and Formation of a Monodentate Carbon-Bound Oxyaryl Dianion, (C6H2tBu2-3,5-O-4)2-
• Authors of publication: Ian J. Casely; Joseph W. Ziller; Ming Fang; Filipp Furche; William J. Evans
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 5244 - 5247
• a: 18.0313 ± 0.0014 Å
• b: 10.084 ± 0.0008 Å
• c: 16.5021 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3000.5 ± 0.4 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0263
• Residual factor for significantly intense reflections: 0.0199
• Weighted residual factors for significantly intense reflections: 0.0441
• Weighted residual factors for all reflections included in the refinement: 0.046
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No