Information card for entry 4066534

Structure parameters

• Formula: C46 H45 Cl Os P2
• Calculated formula: C46 H45 Cl Os P2
• SMILES: [Os]1234(Cl)([P](c5ccccc5)(c5ccccc5)c5ccccc5)([P](c5ccccc5)(c5ccccc5)c5ccccc5)[c]5([cH]1[cH]2[cH]3[cH]45)CC(C)(C)C
• 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: 12.3351 ± 0.0002 Å
• b: 10.5747 ± 0.0002 Å
• c: 29.378 ± 0.0006 Å
• α: 90°
• β: 94.228 ± 0.002°
• γ: 90°
• Cell volume: 3821.64 ± 0.12 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0741
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.0656
• Weighted residual factors for all reflections included in the refinement: 0.0724
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No