Information card for entry 4068511

Structure parameters

• Formula: C42 H34.5 Cl2 O2.25 Os P2
• Calculated formula: C42 H34.5 Cl2 O2.25 Os P2
• SMILES: [Os]12(Cl)(Cl)([P](c3ccccc3)(c3ccccc3)c3ccccc3)(C=C([P+](c3ccccc3)(c3ccccc3)c3ccccc3)C(=O)[CH]1=[CH2]2)C#[O].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: 9.975 ± 0.003 Å
• b: 16.527 ± 0.005 Å
• c: 24.668 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4067 ± 2 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• 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: 0.072
• Residual factor for significantly intense reflections: 0.0681
• Weighted residual factors for significantly intense reflections: 0.1933
• Weighted residual factors for all reflections included in the refinement: 0.1977
• Goodness-of-fit parameter for all reflections included in the refinement: 0.961
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No