Information card for entry 1540561

Structure parameters

• Formula: C64 H53 Br8 Cl2 O2 Os P3
• Calculated formula: C64 H53 Br8 Cl2 O2 Os P3
• Title of publication: Halogenation of carbyne complexes: isolation of unsaturated metallaiodirenium ion and metallabromirenium ion
• Authors of publication: Luo, Ming; Zhu, Congqing; Chen, Lina; Zhang, Hong; Xia, Haiping
• Journal of publication: Chem. Sci.
• Year of publication: 2016
• Journal volume: 7
• Journal issue: 3
• Pages of publication: 1815
• a: 13.0217 ± 0.0003 Å
• b: 22.2992 ± 0.0005 Å
• c: 23.1406 ± 0.0005 Å
• α: 90°
• β: 102.857 ± 0.002°
• γ: 90°
• Cell volume: 6551 ± 0.3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 7
• 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: 0.0937
• Residual factor for significantly intense reflections: 0.067
• Weighted residual factors for significantly intense reflections: 0.1555
• Weighted residual factors for all reflections included in the refinement: 0.1669
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No