Information card for entry 4072939

Structure parameters

• Formula: C61 H44 B Bi2 Br Cl2 F20 N2
• Calculated formula: C61 H44 B Bi2 Br Cl2 F20 N2
• SMILES: [Bi]12([Br][Bi]34[N](Cc5c3cccc5)(Cc3ccccc43)C(C)(C)C)[N](Cc3c1cccc3)(Cc1ccccc21)C(C)(C)C.ClCCl.Fc1c(c(F)c(F)c(F)c1F)[B-](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
• Title of publication: Cationic Organobismuth Complex with 5,6,7,12-Tetrahydrodibenz[c,f][1,5]azabismocine Framework and Its Coordination Complexes with Neutral Molecules
• Authors of publication: Bao, Ming; Hayashi, Teruyuki; Shimada, Shigeru
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 7
• Pages of publication: 1816
• a: 10.083 ± 0.0006 Å
• b: 14.748 ± 0.0009 Å
• c: 39.812 ± 0.002 Å
• α: 90°
• β: 92.056 ± 0.001°
• γ: 90°
• Cell volume: 5916.4 ± 0.6 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for all reflections included in the refinement: 0.0976
• Goodness-of-fit parameter for all reflections included in the refinement: 1.18
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No