Information card for entry 4068503

Structure parameters

• Formula: C59.5 H53 Cl3 O2.5 Os P3
• Calculated formula: C59.5 H53 Cl3 O2.5 Os P3
• SMILES: [Os]12(Cl)([P](c3ccccc3)(c3ccccc3)c3ccccc3)(Cl)([CH](C(=O)C(=C1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1)=[CH2]2)[P](c1ccccc1)(c1ccccc1)c1ccccc1.C(Cl)Cl.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: 11.438 ± 0.002 Å
• b: 20.166 ± 0.004 Å
• c: 14.17 ± 0.003 Å
• α: 90°
• β: 113.8°
• γ: 90°
• Cell volume: 2990.5 ± 1 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0507
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.1266
• Weighted residual factors for all reflections included in the refinement: 0.1284
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No