Information card for entry 4085099

Structure parameters

• Formula: C59 H48 Cl2 O Os P3
• Calculated formula: C59 H48 Cl2 O Os P3
• SMILES: [Os]1(Cl)([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)(Cl)C=C([P+](c2ccccc2)(c2ccccc2)c2ccccc2)C=C1C=O
• 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: 19.331 ± 0.004 Å
• b: 12.429 ± 0.003 Å
• c: 22.174 ± 0.004 Å
• α: 90°
• β: 92.62 ± 0.03°
• γ: 90°
• Cell volume: 5322.1 ± 1.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.0591
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.1566
• Weighted residual factors for all reflections included in the refinement: 0.1656
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No