Information card for entry 7131403

Structure parameters

• Formula: C72.5 H68 Cl9 N2 O3 Os P3
• Calculated formula: C72.501 H68.002 Cl9.002 N2 O3 Os P3
• Title of publication: Hetero-carbolong chemistry: experimental and theoretical studies of diaza-metallapentalenes.
• Authors of publication: Chu, Zhenwei; Li, Jinhua; Hua, Yuhui; Luo, Ming; Chen, Dafa; Xia, Haiping
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 28
• Pages of publication: 4173 - 4176
• a: 13.1837 ± 0.0003 Å
• b: 20.2111 ± 0.0005 Å
• c: 26.5287 ± 0.0007 Å
• α: 90°
• β: 98.736 ± 0.002°
• γ: 90°
• Cell volume: 6986.8 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0767
• Residual factor for significantly intense reflections: 0.0661
• Weighted residual factors for significantly intense reflections: 0.1461
• Weighted residual factors for all reflections included in the refinement: 0.151
• Goodness-of-fit parameter for all reflections included in the refinement: 1.198
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No