Information card for entry 4087539

Structure parameters

• Formula: C78 H73 B2 Cl6 F8 O4 Os P3
• Calculated formula: C78 H73 B2 Cl6 F8 O4 Os P3
• SMILES: [Os]123([P](c4ccccc4)(c4ccccc4)c4ccccc4)([P](c4ccccc4)(c4ccccc4)c4ccccc4)([O]=C(OCC)C=[C]2=[CH2]3)[O]=C(OCC)C=C1/C=C/C(=C\c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.ClCCl.ClCCl.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: 12.4738 ± 0.0004 Å
• b: 16.1429 ± 0.0005 Å
• c: 20.2952 ± 0.0007 Å
• α: 70.968 ± 0.001°
• β: 88.351 ± 0.001°
• γ: 79.532 ± 0.001°
• Cell volume: 3797 ± 0.2 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1519
• Residual factor for significantly intense reflections: 0.0832
• Weighted residual factors for significantly intense reflections: 0.2026
• Weighted residual factors for all reflections included in the refinement: 0.2984
• Goodness-of-fit parameter for all reflections included in the refinement: 1.227
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No