Information card for entry 4084752

Structure parameters

• Formula: C62 H50 Cl3 N2 Os P3 S2
• Calculated formula: C62 H50 Cl3 N2 Os P3 S2
• SMILES: [Os]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)(C=C([P+](c2ccccc2)(c2ccccc2)c2ccccc2)C=C(C=1)Cl)(N=C=S)N=C=S.C(Cl)Cl
• Title of publication: Synthesis, Structure, and Reactivity of an Osmacyclopentene Complex
• Authors of publication: Han, Feifei; Wang, Tongdao; Li, Jinhua; Zhang, Hong; Zhang, Laiying; He, Xumin; Xia, Haiping
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 19
• Pages of publication: 5301
• a: 12.709 ± 0.0003 Å
• b: 19.6956 ± 0.0006 Å
• c: 22.2298 ± 0.0006 Å
• α: 90°
• β: 96.173 ± 0.002°
• γ: 90°
• Cell volume: 5532.1 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0339
• Residual factor for significantly intense reflections: 0.023
• Weighted residual factors for significantly intense reflections: 0.0416
• Weighted residual factors for all reflections included in the refinement: 0.0424
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No