Information card for entry 4068510

Structure parameters

• Formula: C29 H38.67 Cl2 O2.83 Os P3
• Calculated formula: C29 H38.6633 Cl2 O2.83333 Os P3
• SMILES: [Os]1(Cl)([P](C)(C)C)([P](C)(C)C)([O]=C(C([P+](c2ccccc2)(c2ccccc2)c2ccccc2)=C1)C)C#[O].[Cl-].O
• Title of publication: Synthesis of Coordinated η2-α,β-Unsaturated Ketone Osmacycles from an Osmium-Coordinated Alkyne Alcohol Complex
• Authors of publication: Gong, Lei; Lin, Yumei; Wen, Ting Bin; Xia, Haiping
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 4
• Pages of publication: 1101
• a: 26.911 ± 0.003 Å
• b: 26.911 ± 0.003 Å
• c: 25.553 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 16026 ± 4 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• Space group number: 161
• Hermann-Mauguin space group symbol: R 3 c :H
• Hall space group symbol: R 3 -2"c
• Residual factor for all reflections: 0.034
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0824
• Weighted residual factors for all reflections included in the refinement: 0.0828
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No