Information card for entry 7123389

Structure parameters

• Formula: C69.25 H56.5 B Cl1.5 F4 N O3 Os P3
• Calculated formula: C69.25 H56.5 B Cl1.5 F4 N O3 Os P3
• Title of publication: Synthesis and Characterization of Metallapentalenoxazetes from the [2+2] Cycloaddition of Metallapentalynes with Nitrosoarenes
• Authors of publication: Deng, Zhihong; Zhu, Congqing; Hua, Yuhui; HE, Guomei; Guo, Ying; Lu, Ruqiang; Cao, Xiaoyu; Chen, Jiangxi; Xia, Haiping
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 13.604 ± 0.003 Å
• b: 13.735 ± 0.003 Å
• c: 34.365 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6421 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 9
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0448
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.1223
• Weighted residual factors for all reflections included in the refinement: 0.1246
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No