Information card for entry 4324473

Structure parameters

• Formula: C38 H59 Bi N4 O
• Calculated formula: C38 H59 Bi N4 O
• SMILES: [Bi]123(Oc4c(cccc4C(C)(C)C)C(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: 9.6863 ± 0.0006 Å
• b: 10.5364 ± 0.0006 Å
• c: 18.3169 ± 0.0011 Å
• α: 92.3499 ± 0.0007°
• β: 97.9458 ± 0.0007°
• γ: 99.2711 ± 0.0006°
• Cell volume: 1823.43 ± 0.19 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 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: 0.0335
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for significantly intense reflections: 0.0686
• Weighted residual factors for all reflections included in the refinement: 0.0706
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No