Information card for entry 4087540

Structure parameters

• Formula: C74 H67 B2 Cl2 F8 O4 Os P3
• Calculated formula: C74 H67 B2 Cl2 F8 O4 Os P3
• SMILES: [Os]123456([P](c7ccccc7)(c7ccccc7)c7ccccc7)([P](c7ccccc7)(c7ccccc7)c7ccccc7)[cH]7[cH]1[cH]5[cH]6[c]14[c]37C(C(=C2)[P+](c2ccccc2)(c2ccccc2)c2ccccc2)CC\1=C(CC(=O)OCC)\C(=O)OCC.ClCCl.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-]
• Title of publication: Reactions of Osmium Hydrido Alkenylcarbyne with Allenoates: Insertion and [3 + 2] Annulation
• Authors of publication: Zhou, Xiaoxi; He, Xiehua; Lin, Jianfeng; Zhuo, Qingde; Chen, Zhixin; Zhang, Hong; Wang, Jianbo; Xia, Haiping
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 9
• Pages of publication: 1742
• a: 20.2277 ± 0.0002 Å
• b: 22.4748 ± 0.0002 Å
• c: 15.2161 ± 0.0002 Å
• α: 90°
• β: 111.549 ± 0.001°
• γ: 90°
• Cell volume: 6433.94 ± 0.13 ų
• Cell temperature: 134 ± 5 K
• Ambient diffraction temperature: 134 ± 5 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 all reflections: 0.0344
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0876
• Weighted residual factors for all reflections included in the refinement: 0.0894
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No