Information card for entry 1571541

Structure parameters

• Formula: C91 H76 B Cl7 N O Os P3
• Calculated formula: C91 H76 B Cl7 N O Os P3
• SMILES: [Os]1(Cl)([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)([n]2c(C(=C1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1)cccc2C#C)C#[O].ClCCl.ClCCl.ClCCl.c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Isomerization reactions of metal vinylidene units.
• Authors of publication: Zheng, Xuejuan; Huang, Fanping; Li, Xinyuan; Zhuo, Kaiyue; Chen, Dafa; Luo, Ming; Xia, Haiping
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 22
• Pages of publication: 8443 - 8450
• a: 14.0545 ± 0.0004 Å
• b: 17.0441 ± 0.0005 Å
• c: 17.7828 ± 0.0006 Å
• α: 78.098 ± 0.001°
• β: 81.652 ± 0.001°
• γ: 70.887 ± 0.001°
• Cell volume: 3924.5 ± 0.2 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 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: 0.0359
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0958
• Weighted residual factors for all reflections included in the refinement: 0.0958
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No