Information card for entry 1571543

Structure parameters

• Formula: C63 H49 Cl2 F6 N Os P4 S
• Calculated formula: C63 H49 Cl2 F6 N Os P4 S
• SMILES: [Os]123(Cl)(SC3=C(Cl)c3[n]1c(C(=C2)[P+](c1ccccc1)(c1ccccc1)c1ccccc1)ccc3)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.[P](F)(F)(F)(F)(F)[F-]
• 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: 14.163 ± 0.0007 Å
• b: 14.2184 ± 0.0007 Å
• c: 15.9648 ± 0.0008 Å
• α: 98.109 ± 0.002°
• β: 106.294 ± 0.002°
• γ: 101.236 ± 0.002°
• Cell volume: 2960.5 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0337
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.0778
• Weighted residual factors for all reflections included in the refinement: 0.0792
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No