Information card for entry 1571539

Structure parameters

• Formula: C73 H61 B Cl6 F4 N Os P3 S
• Calculated formula: C73 H61 B Cl6 F4 N Os P3 S
• 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: 9.9632 ± 0.0009 Å
• b: 11.5217 ± 0.001 Å
• c: 29.202 ± 0.003 Å
• α: 78.917 ± 0.003°
• β: 82.668 ± 0.003°
• γ: 88.004 ± 0.003°
• Cell volume: 3262.6 ± 0.5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 9
• 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: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1176
• Weighted residual factors for all reflections included in the refinement: 0.1193
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No