Information card for entry 4087544

Structure parameters

• Formula: C70 H60 B2 Cl3 F8 O2 Os P3
• Calculated formula: C70 H60 B2 Cl3 F8 O2 Os P3
• SMILES: [Os]123456([P](c7ccccc7)(c7ccccc7)c7ccccc7)([P](c7ccccc7)(c7ccccc7)c7ccccc7)[c]78[cH]5[cH]3[cH]4[cH]1[c]67C(C(=C2)[P+](c1ccccc1)(c1ccccc1)c1ccccc1)CC\8=C\C(=O)OCC.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].ClC(Cl)Cl
• 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: 19.7718 ± 0.0008 Å
• b: 23.4779 ± 0.0009 Å
• c: 14.3128 ± 0.0004 Å
• α: 90°
• β: 110.442 ± 0.001°
• γ: 90°
• Cell volume: 6225.6 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.0899
• Residual factor for significantly intense reflections: 0.0559
• Weighted residual factors for significantly intense reflections: 0.1436
• Weighted residual factors for all reflections included in the refinement: 0.1725
• Goodness-of-fit parameter for all reflections included in the refinement: 1.125
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No