Information card for entry 4068504

Structure parameters

• Formula: C45 H44 Cl8 N2 O Os P2
• Calculated formula: C45 H44 Cl8 N2 O Os P2
• SMILES: [Os]123(C=C([P+](c4ccccc4)(c4ccccc4)c4ccccc4)C(=O)[CH]3=[CH2]1)(Cl)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[NH2]CC[NH2]2.[Cl-].ClC(Cl)Cl.ClC(Cl)Cl
• 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: 12.334 ± 0.003 Å
• b: 12.646 ± 0.003 Å
• c: 15.335 ± 0.003 Å
• α: 87.508 ± 0.004°
• β: 74.564 ± 0.004°
• γ: 83.03 ± 0.004°
• Cell volume: 2288.4 ± 0.9 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0512
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.1013
• Weighted residual factors for all reflections included in the refinement: 0.1041
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No