Information card for entry 4073139

Structure parameters

• Formula: C37 H33 Bi N2 O7
• Calculated formula: C37 H33 Bi N2 O7
• SMILES: [Bi]12(c3ccccc3)([n]3cccc4c3c3c(ccc[n]13)cc4)([O]=C(c1c(cc(cc1)C)O)O2)OC(=O)c1c(cc(cc1)C)O.C(=O)(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: 11.736 ± 0.002 Å
• b: 12.08 ± 0.002 Å
• c: 14.215 ± 0.003 Å
• α: 95.21 ± 0.03°
• β: 111.15 ± 0.03°
• γ: 113.63 ± 0.03°
• Cell volume: 1655.3 ± 0.9 ų
• Cell temperature: 195 ± 2 K
• Ambient diffraction temperature: 195 ± 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: 0.0991
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.0637
• Weighted residual factors for all reflections included in the refinement: 0.0763
• Goodness-of-fit parameter for all reflections included in the refinement: 0.865
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No