Information card for entry 1558980

Structure parameters

• Formula: C70 H57 Cl8 O Os P3
• Calculated formula: C70 H57 Cl8 O Os P3
• Title of publication: Extension of Simmons‒Smith Reaction to Metal-Carbynes: Efficient Synthesis of Metallacyclopropenes with σ-Aromaticity
• Authors of publication: Huang, Fanping; Zheng, Xuejuan; Lin, Xinlei; Ding, Lin-Ting; Zhuo, Qingde; Wen, Ting-Bin; Zhang, Hong; Xia, Haiping
• Journal of publication: Chemical Science
• Year of publication: 2020
• a: 12.0312 ± 0.0005 Å
• b: 17.2019 ± 0.001 Å
• c: 19.2444 ± 0.0011 Å
• α: 106.991 ± 0.005°
• β: 103.843 ± 0.004°
• γ: 105.956 ± 0.004°
• Cell volume: 3433.9 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0393
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0639
• Weighted residual factors for all reflections included in the refinement: 0.065
• Goodness-of-fit parameter for all reflections included in the refinement: 0.962
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No