Information card for entry 4065282

Structure parameters

• Formula: C51 H37 Cl7 Os P2
• Calculated formula: C51 H37 Cl7 Os P2
• SMILES: [Os](Cl)(Cl)(Cl)([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)#CC=C(c1c(Cl)cccc1Cl)c1c(Cl)cccc1Cl
• Title of publication: Hydrolysis of Osmium and Ruthenium Carbyne Complexes
• Authors of publication: Chen, Jiangxi; Sung, Herman Ho-Yung; Williams, Ian Duncan; Jia, Guochen
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 22
• Pages of publication: 6159
• a: 10.3624 ± 0.0003 Å
• b: 14.9316 ± 0.0007 Å
• c: 29.4464 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4556.2 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0356
• Residual factor for significantly intense reflections: 0.0274
• Weighted residual factors for significantly intense reflections: 0.0515
• Weighted residual factors for all reflections included in the refinement: 0.0537
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No