Information card for entry 4085101

Structure parameters

• Formula: C64 H57 B Cl3 F4 O2 Os P3
• Calculated formula: C64 H57 B Cl3 F4 O2 Os P3
• SMILES: [Os]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)(Cl)([O]=C(C=C1)OC)=C=C([P+](c1ccccc1)(c1ccccc1)c1ccccc1)/C=C/C.ClCCl.[B](F)(F)(F)[F-]
• Title of publication: Synthesis of Five-Membered Osmacycles with Osmium‒Vinyl Bonds from Hydrido Alkenylcarbyne Complexes
• Authors of publication: Chen, Jinxiang; Huang, Zi-Ao; Hua, Yuhui; Zhang, Hong; Xia, Haiping
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 1
• Pages of publication: 340
• a: 12.388 ± 0.003 Å
• b: 12.869 ± 0.003 Å
• c: 18.608 ± 0.004 Å
• α: 100.36 ± 0.03°
• β: 95.06 ± 0.03°
• γ: 95.18 ± 0.03°
• Cell volume: 2889.7 ± 1.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0448
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.1234
• Weighted residual factors for all reflections included in the refinement: 0.1557
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No