Information card for entry 4073140

Structure parameters

• Formula: C35 H34 Bi N3 O7
• Calculated formula: C35 H34 Bi N3 O7
• SMILES: [Bi]12(OC(=[O]1)c1c(O)cc(cc1)C)(OC(=O)c1c(O)cc(cc1)C)(c1ccccc1)[n]1ccccc1c1cccc[n]21.N(C)(C=O)C
• Title of publication: Synthesis and Characterization of New Phenylbis(salicylato)bismuth(III) Complexes
• Authors of publication: Stavila, Vitalie; Fettinger, James C.; Whitmire, Kenton H.
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 14
• Pages of publication: 3321
• a: 11.221 ± 0.002 Å
• b: 11.789 ± 0.002 Å
• c: 14.441 ± 0.003 Å
• α: 66.93 ± 0.03°
• β: 89.68 ± 0.03°
• γ: 69.93 ± 0.03°
• Cell volume: 1632.4 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.2033
• Residual factor for significantly intense reflections: 0.0679
• Weighted residual factors for significantly intense reflections: 0.1238
• Weighted residual factors for all reflections included in the refinement: 0.1636
• Goodness-of-fit parameter for all reflections included in the refinement: 0.869
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No