Information card for entry 4087542

Structure parameters

• Formula: C68 H56 B Cl0 F4 O2 Os P3
• Calculated formula: C68 H56 B F4 O2 Os P3
• SMILES: [Os]1234([P](c5ccccc5)(c5ccccc5)c5ccccc5)([P](c5ccccc5)(c5ccccc5)c5ccccc5)OC(=O)[CH]4=[C]43[c]32c([C@@H](C(=C1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1)[C@H]4C)cccc3.[B](F)(F)(F)[F-].[Os]1234([P](c5ccccc5)(c5ccccc5)c5ccccc5)([P](c5ccccc5)(c5ccccc5)c5ccccc5)OC(=O)[CH]4=[C]43[c]32c([C@H](C(=C1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1)[C@@H]4C)cccc3.[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: 10.8669 ± 0.0002 Å
• b: 13.138 ± 0.0003 Å
• c: 20.8981 ± 0.0004 Å
• α: 91.874 ± 0.001°
• β: 102.402 ± 0.001°
• γ: 109.764 ± 0.001°
• Cell volume: 2724.27 ± 0.1 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: 0.0342
• Residual factor for significantly intense reflections: 0.0277
• Weighted residual factors for significantly intense reflections: 0.0627
• Weighted residual factors for all reflections included in the refinement: 0.0652
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No