Information card for entry 4085274

Structure parameters

• Formula: C17.5 H24.5 Bi Cl6.5 N2
• Calculated formula: C17 H24 Bi Cl5 N2
• SMILES: [Bi]12(Cl)(Cl)c3c(C=[N]2C(C)(C)C)cccc3C=[N]1C(C)(C)C.ClC(Cl)Cl
• Title of publication: Reactivity of N,C,N-Chelated Antimony(III) and Bismuth(III) Chlorides with Lithium Reagents: Addition vs Substitution
• Authors of publication: Vránová, Iva; Jambor, Roman; Růžička, Aleš; Jirásko, Robert; Dostál, Libor
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 2
• Pages of publication: 534
• a: 14.3031 ± 0.0011 Å
• b: 11.892 ± 0.0009 Å
• c: 19.8789 ± 0.0011 Å
• α: 90°
• β: 133.236 ± 0.005°
• γ: 90°
• Cell volume: 2463.4 ± 0.4 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 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: 0.0497
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.0944
• Weighted residual factors for all reflections included in the refinement: 0.1065
• Goodness-of-fit parameter for all reflections included in the refinement: 1.127
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No