Information card for entry 4085105

Structure parameters

• Formula: C49 H42 B Cl F4 O2 Os P2
• Calculated formula: C49 H40 B Cl F4 O2 Os P2
• SMILES: [Os]1(#C/C=C/c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)(Cl)[O]=C(OC)C=C1.[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: 11.5341 ± 0.0003 Å
• b: 16.1333 ± 0.0003 Å
• c: 12.3436 ± 0.0003 Å
• α: 90°
• β: 99.719 ± 0.001°
• γ: 90°
• Cell volume: 2263.97 ± 0.09 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0622
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1117
• Weighted residual factors for all reflections included in the refinement: 0.1314
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No