Information card for entry 4068554

Structure parameters

• Formula: C56 H67 Bi Br O2 P
• Calculated formula: C56 H67 Bi Br O2 P
• SMILES: [Bi]1(Br)(OP(=[O]1)c1c(cc(cc1c1c(cc(cc1C)C)C)C(C)(C)C)c1c(cc(cc1C)C)C)c1c(cc(cc1c1c(cc(cc1C)C)C)C(C)(C)C)c1c(cc(cc1C)C)C
• Title of publication: Novel Sterically Congested Monoorganobismuth(III) Compounds: Synthesis, Structure, and Bismuth−Arene π Interaction in ArBiXY (X, Y = Br, I, OH, 2,6-Mes2-4-t-Bu-C6H2PHO2)
• Authors of publication: Breunig, Hans J.; Haddad, Nawja; Lork, Enno; Mehring, Michael; Mügge, Clemens; Nolde, Christof; Raţ, Ciprian I.; Schürmann, Markus
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 4
• Pages of publication: 1202
• a: 15.3197 ± 0.0003 Å
• b: 26.2909 ± 0.0006 Å
• c: 13.7661 ± 0.0003 Å
• α: 90°
• β: 110.935 ± 0.001°
• γ: 90°
• Cell volume: 5178.5 ± 0.2 ų
• Cell temperature: 173 ± 1 K
• Ambient diffraction temperature: 173 ± 1 K
• Number of distinct elements: 6
• 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: 0.1217
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0423
• Weighted residual factors for all reflections included in the refinement: 0.0523
• Goodness-of-fit parameter for all reflections included in the refinement: 0.637
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No