Information card for entry 4073142

Structure parameters

• Formula: C31 H27 Bi N2 O7
• Calculated formula: C31 H27 Bi N2 O7
• SMILES: [Bi]123([n]4cccc5c4c4[n]1cccc4cc5)([O]=C(O2)c1c(O)cc(cc1)C)OC(=O)c1c(O3)cc(cc1)C.O=C(C)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: 15.979 ± 0.003 Å
• b: 15.472 ± 0.003 Å
• c: 12.295 ± 0.003 Å
• α: 90°
• β: 108.13 ± 0.03°
• γ: 90°
• Cell volume: 2888.7 ± 1.2 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: 0.0908
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0722
• Weighted residual factors for all reflections included in the refinement: 0.0996
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No