Information card for entry 4071409

Structure parameters

• Formula: C59 H49 Cl2 Os P3
• Calculated formula: C59 H49 Cl2 Os P3
• SMILES: [Os]1(Cl)(Cl)([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)C=C([P+](c2ccccc2)(c2ccccc2)c2ccccc2)C=CC=1
• Title of publication: Formation of Four Conjugated Osmacyclic Species in a One-Pot Reaction
• Authors of publication: Gong, Lei; Lin, Yumei; Wen, Ting Bin; Zhang, Hong; Zeng, Birong; Xia, Haiping
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 11
• Pages of publication: 2584
• a: 11.8066 ± 0.0007 Å
• b: 23.7395 ± 0.0015 Å
• c: 17.4227 ± 0.0004 Å
• α: 90°
• β: 90.885 ± 0.004°
• γ: 90°
• Cell volume: 4882.7 ± 0.4 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• 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: 0.0663
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.0804
• Weighted residual factors for all reflections included in the refinement: 0.0876
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No