Information card for entry 4071411

Structure parameters

• Formula: C59.75 H52.5 Cl3.5 O1.5 Os P3
• Calculated formula: C59.75 H52.5 Cl3.5 O1.5 Os P3
• SMILES: [Os]1(Cl)(Cl)([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[O]=C(C([P+](c2ccccc2)(c2ccccc2)c2ccccc2)=C1)CC.C(Cl)Cl.O
• Title of publication: Formation of Four Conjugated Osmacyclic Species in a One-Pot Reaction
• Authors of publication: Gong, Lei; Lin, Yumei; Wen, Ting Bin; Zhang, Hong; Zeng, Birong; Xia, Haiping
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 11
• Pages of publication: 2584
• a: 12.249 ± 0.002 Å
• b: 12.959 ± 0.002 Å
• c: 20.138 ± 0.003 Å
• α: 98.431 ± 0.003°
• β: 95.354 ± 0.003°
• γ: 113.906 ± 0.003°
• Cell volume: 2849.3 ± 0.8 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0859
• Residual factor for significantly intense reflections: 0.0797
• Weighted residual factors for significantly intense reflections: 0.2203
• Weighted residual factors for all reflections included in the refinement: 0.2262
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No