Information card for entry 1571538

Structure parameters

• Formula: C119 H108 B2 Cl11 N Os P4
• Calculated formula: C119 H108 B2 Cl11 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+](C)(C)C.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.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: 15.7974 ± 0.0005 Å
• b: 17.7933 ± 0.0005 Å
• c: 20.4463 ± 0.0006 Å
• α: 75.963 ± 0.001°
• β: 89.72 ± 0.001°
• γ: 73.086 ± 0.001°
• Cell volume: 5321 ± 0.3 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 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: 0.0516
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.1336
• Weighted residual factors for all reflections included in the refinement: 0.1345
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No