Information card for entry 7135413

Structure parameters

• Formula: C66 H57 Cl6.25 O4.5 Os P3
• Calculated formula: C66 H57 Cl6.25 O4.5 Os P3
• Title of publication: Tuning the reactivity of an osmium–peroxo unit by modulating metallacycle aromaticity
• Authors of publication: Xia, Haiping; Deng, Zhihong; Zhang, Hong; Luo, Ming
• Journal of publication: Chemical Communications
• Year of publication: 2026
• a: 13.0692 ± 0.0003 Å
• b: 23.4824 ± 0.0006 Å
• c: 20.1169 ± 0.0005 Å
• α: 90°
• β: 96.239 ± 0.003°
• γ: 90°
• Cell volume: 6137.2 ± 0.3 ų
• Cell temperature: 172.95 ± 0.1 K
• Ambient diffraction temperature: 172.95 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0655
• Residual factor for significantly intense reflections: 0.0571
• Weighted residual factors for significantly intense reflections: 0.1163
• Weighted residual factors for all reflections included in the refinement: 0.1199
• Goodness-of-fit parameter for all reflections included in the refinement: 1.172
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No