Information card for entry 4065284

Structure parameters

• Formula: C51 H39 Cl5 Os P2
• Calculated formula: C51 H39 Cl5 Os P2
• SMILES: [Os](Cl)(Cl)(Cl)([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)#CC=C(c1c(Cl)cccc1)c1c(Cl)cccc1
• 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: 25.295 ± 0.002 Å
• b: 12.8976 ± 0.0007 Å
• c: 29.254 ± 0.003 Å
• α: 90°
• β: 112.843 ± 0.01°
• γ: 90°
• Cell volume: 8795.5 ± 1.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.1037
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for significantly intense reflections: 0.0737
• Weighted residual factors for all reflections included in the refinement: 0.0809
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No