Information card for entry 4073141

Structure parameters

• Formula: C34 H29 Bi N2 O9
• Calculated formula: C34 H29 Bi N2 O9
• SMILES: [Bi]12(OC(=O)c3c(O)cc(cc3)C)([O]=C(O1)c1c(O)cc(cc1)C)(OC(=O)c1c(O)cc(cc1)C)[n]1ccccc1c1cccc[n]21
• 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: 12.037 ± 0.002 Å
• b: 14.119 ± 0.003 Å
• c: 23.159 ± 0.005 Å
• α: 90°
• β: 94.55 ± 0.03°
• γ: 90°
• Cell volume: 3923.5 ± 1.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0893
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.101
• Weighted residual factors for all reflections included in the refinement: 0.1163
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No