Information card for entry 4085104

Structure parameters

• Formula: C45 H38 Cl2 Os P2
• Calculated formula: C45 H38 Cl2 Os P2
• SMILES: [OsH]([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)(#C/C=C/c1ccccc1)(Cl)Cl
• Title of publication: Synthesis of Five-Membered Osmacycles with Osmium‒Vinyl Bonds from Hydrido Alkenylcarbyne Complexes
• Authors of publication: Chen, Jinxiang; Huang, Zi-Ao; Hua, Yuhui; Zhang, Hong; Xia, Haiping
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 1
• Pages of publication: 340
• a: 9.5727 ± 0.0003 Å
• b: 16.8679 ± 0.0004 Å
• c: 23.5196 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3797.74 ± 0.18 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0549
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0441
• Weighted residual factors for all reflections included in the refinement: 0.0467
• Goodness-of-fit parameter for all reflections included in the refinement: 0.768
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No