Information card for entry 4324470

Structure parameters

• Formula: C28 H47 Bi N4 O
• Calculated formula: C28 H47 Bi N4 O
• SMILES: [Bi]123(OC(C)(C)C)([N](Cc4c2c(ccc4)C[N]1(C)C)(C)C)[N](Cc1c3c(ccc1)CN(C)C)(C)C
• Title of publication: Bismuth Coordination Chemistry with Allyl, Alkoxide, Aryloxide, and Tetraphenylborate Ligands and the {[2,6-(Me2NCH2)2C6H3]2Bi}+ Cation
• Authors of publication: Ian J. Casely; Joseph W. Ziller; Bruce J. Mincher; William J. Evans
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 1513 - 1520
• a: 16.5591 ± 0.0009 Å
• b: 10.7987 ± 0.0006 Å
• c: 16.9911 ± 0.0009 Å
• α: 90°
• β: 94.578 ± 0.0007°
• γ: 90°
• Cell volume: 3028.6 ± 0.3 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.018
• Residual factor for significantly intense reflections: 0.015
• Weighted residual factors for significantly intense reflections: 0.0344
• Weighted residual factors for all reflections included in the refinement: 0.0354
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No