Information card for entry 4084753

Structure parameters

• Formula: C83 H70 Cl4 N2 O Os P4 S2
• Calculated formula: C83 H70 Cl4 N2 O Os P4 S2
• SMILES: [Os]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)(C=C(C=[O]1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1)(C#C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)SC#N.[S-]C#N.C(CCl)Cl.C(CCl)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: 13.7115 ± 0.0006 Å
• b: 14.1888 ± 0.0007 Å
• c: 19.7024 ± 0.0009 Å
• α: 80.249 ± 0.004°
• β: 89.522 ± 0.004°
• γ: 75.278 ± 0.004°
• Cell volume: 3651.3 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0766
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.1206
• Weighted residual factors for all reflections included in the refinement: 0.1338
• 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: Yes
• Has Fobs: No