Information card for entry 4087543

Structure parameters

• Formula: C70 H61 B2 Cl2 F8 O2 Os P3
• Calculated formula: C70 H61 B2 Cl2 F8 O2 Os P3
• SMILES: [Os]123456(C=C([P+](c7ccccc7)(c7ccccc7)c7ccccc7)C7[c]85[cH]1[cH]4[cH]3[cH]6[c]28/C(=C\C(=O)OC)C7)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].ClCCCl
• 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: 19.8637 ± 0.0007 Å
• b: 23.1808 ± 0.0005 Å
• c: 14.2062 ± 0.0004 Å
• α: 90°
• β: 109.839 ± 0.004°
• γ: 90°
• Cell volume: 6153.1 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0654
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.1209
• Weighted residual factors for all reflections included in the refinement: 0.1358
• Goodness-of-fit parameter for all reflections included in the refinement: 0.905
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No