Information card for entry 1571544

Structure parameters

• Formula: C119 H100 B2 Cl N Os P4
• Calculated formula: C119 H100 B2 Cl N Os P4
• SMILES: [Os]12(Cl)([P](c3ccccc3)(c3ccccc3)c3ccccc3)([P](c3ccccc3)(c3ccccc3)c3ccccc3)[n]3c(C(=C1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1)cccc3C(=C=2)[P+](c1ccccc1)(C)C.c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1.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: 16.9627 ± 0.0008 Å
• b: 19.3429 ± 0.0009 Å
• c: 22.1477 ± 0.001 Å
• α: 110.864 ± 0.002°
• β: 94.765 ± 0.002°
• γ: 114.869 ± 0.002°
• Cell volume: 5923.8 ± 0.5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0584
• Residual factor for significantly intense reflections: 0.0553
• Weighted residual factors for significantly intense reflections: 0.1635
• Weighted residual factors for all reflections included in the refinement: 0.1669
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No