Information card for entry 4085102

Structure parameters

• Formula: C74 H64 B2 Cl4 F8 N O2 Os P3
• Calculated formula: C74 H64 B2 Cl4 F8 N O2 Os P3
• SMILES: [Os]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)([OH]C(C(=C1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1)(C#[O])[N]#Cc1ccccc1.ClCCl.ClCCCl.[B](F)(F)(F)[F-].[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: 15.663 ± 0.003 Å
• b: 23.912 ± 0.005 Å
• c: 18.781 ± 0.004 Å
• α: 90°
• β: 91.49 ± 0.03°
• γ: 90°
• Cell volume: 7032 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 9
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0744
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.1431
• Weighted residual factors for all reflections included in the refinement: 0.1732
• Goodness-of-fit parameter for all reflections included in the refinement: 0.98
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No