Information card for entry 4068505

Structure parameters

• Formula: C51.25 H43.25 Cl2.75 N2 O1.5 Os P2
• Calculated formula: C51.25 H43.25 Cl2.75 N2 O1.5 Os P2
• SMILES: [Os]123(Cl)([P](c4ccccc4)(c4ccccc4)c4ccccc4)([n]4c(cccc4)c4[n]1cccc4)C=C([P+](c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)[CH]2=[CH2]3.[Cl-].C(Cl)(Cl)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: 13.7379 ± 0.0019 Å
• b: 11.5681 ± 0.0017 Å
• c: 30.702 ± 0.004 Å
• α: 90°
• β: 97.616 ± 0.002°
• γ: 90°
• Cell volume: 4836.2 ± 1.2 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 7
• 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: 0.0644
• Residual factor for significantly intense reflections: 0.0562
• Weighted residual factors for significantly intense reflections: 0.1665
• Weighted residual factors for all reflections included in the refinement: 0.1725
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No