Information card for entry 1568944

Structure parameters

• Formula: C64 H54 B Cl4 F4 O Os P3
• Calculated formula: C64 H54 B Cl4 F4 O Os P3
• Title of publication: Reshaping aromatic frameworks: expansion of aromatic system drives metallabenzenoids to metallapentalenes.
• Authors of publication: Li, Qian; Fei, Jiawei; Ruan, Kaidong; Hua, Yuhui; Chen, Dafa; Luo, Ming; Xia, Haiping
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 21
• Pages of publication: 5672 - 5680
• a: 10.152 ± 0.0001 Å
• b: 12.5705 ± 0.0002 Å
• c: 23.1569 ± 0.0003 Å
• α: 102.344 ± 0.001°
• β: 99.85 ± 0.001°
• γ: 97.607 ± 0.001°
• Cell volume: 2800.15 ± 0.07 ų
• Cell temperature: 100 ± 0.12 K
• Ambient diffraction temperature: 100 ± 0.12 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: 0.0596
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.1463
• Weighted residual factors for all reflections included in the refinement: 0.1489
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No