Information card for entry 7131407

Structure parameters

• Formula: C67 H55 F12 N2 O2 Os P3 Sb2
• Calculated formula: C67 H55 F12 N2 O2 Os P3 Sb2
• 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: 11.9962 ± 0.0003 Å
• b: 20.0596 ± 0.0005 Å
• c: 26.3587 ± 0.0006 Å
• α: 90°
• β: 98.018 ± 0.001°
• γ: 90°
• Cell volume: 6280.9 ± 0.3 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 K
• Number of distinct elements: 8
• 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: 0.0528
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.1065
• Weighted residual factors for all reflections included in the refinement: 0.1113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No