Information card for entry 4324472

Structure parameters

• Formula: C48 H58 B Bi N4
• Calculated formula: C48 H58 B Bi N4
• SMILES: [Bi]123([N](Cc4c2c(ccc4)C[N]1(C)C)(C)C)[N](Cc1c3c(ccc1)CN(C)C)(C)C.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 15.9493 ± 0.0009 Å
• b: 13.0162 ± 0.0007 Å
• c: 20.7895 ± 0.0011 Å
• α: 90°
• β: 101.126 ± 0.0007°
• γ: 90°
• Cell volume: 4234.8 ± 0.4 ų
• Cell temperature: 148 ± 2 K
• Ambient diffraction temperature: 148 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.029
• Residual factor for significantly intense reflections: 0.0208
• Weighted residual factors for significantly intense reflections: 0.0496
• Weighted residual factors for all reflections included in the refinement: 0.0528
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No