Information card for entry 4066536

Structure parameters

• Formula: C53.5 H52 Cl2 Os P2
• Calculated formula: C53.5 H52 Cl2 Os P2
• Title of publication: Substituted Cyclopentadienyl Osmium Complexes from the Reactions of OsH3Cl(PPh3)3with Fulvenes and Cyclopentadienes
• Authors of publication: Tse, Sunny Kai San; Bai, Wei; Sung, Herman Ho-Yung; Williams, Ian Duncan; Jia, Guochen
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 16
• Pages of publication: 3571
• a: 12.5156 ± 0.0001 Å
• b: 20.4199 ± 0.0002 Å
• c: 17.1641 ± 0.0002 Å
• α: 90°
• β: 94.407 ± 0.001°
• γ: 90°
• Cell volume: 4373.61 ± 0.08 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.068
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.0726
• Weighted residual factors for all reflections included in the refinement: 0.0783
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No