Information card for entry 4125695

Structure parameters

• Formula: C70.4 H62.8 B Cl1.8 F4 N O2 Os P3
• Calculated formula: C70.4 H62.8 B Cl1.8 F4 N O2 Os P3
• Title of publication: Reactions of Isocyanides with Metal Carbyne Complexes: Isolation and Characterization of Metallacyclopropenimine Intermediates.
• Authors of publication: Luo, Ming; Long, Lipeng; Zhang, Hong; Yang, Yuhui; Hua, Yuhui; Liu, Gang; Lin, Zhenyang; Xia, Haiping
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 5
• Pages of publication: 1822 - 1825
• a: 23.7295 ± 0.0005 Å
• b: 13.9429 ± 0.0002 Å
• c: 20.7926 ± 0.0004 Å
• α: 90°
• β: 108.662 ± 0.002°
• γ: 90°
• Cell volume: 6517.7 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 9
• 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: 0.0796
• Residual factor for significantly intense reflections: 0.0701
• Weighted residual factors for significantly intense reflections: 0.2051
• Weighted residual factors for all reflections included in the refinement: 0.2167
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No