Information card for entry 1567090

Structure parameters

• Formula: C12 H6 Ga O5
• Calculated formula: C12 H6 Ga O5
• Title of publication: How to get maximum structure information from anisotropic displacement parameters obtained by three-dimensional electron diffraction: an experimental study on metal–organic frameworks
• Authors of publication: Samperisi, Laura; Zou, Xiaodong; Huang, Zhehao
• Journal of publication: IUCrJ
• Year of publication: 2022
• Journal volume: 9
• Journal issue: 4
• a: 21.57 ± 0.003 Å
• b: 21.57 ± 0.003 Å
• c: 6.7 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3117.3 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 137
• Hermann-Mauguin space group symbol: P 42/n m c :2
• Hall space group symbol: -P 4ac 2a
• Residual factor for all reflections: 0.2065
• Residual factor for significantly intense reflections: 0.188
• Weighted residual factors for significantly intense reflections: 0.4609
• Weighted residual factors for all reflections included in the refinement: 0.4714
• Goodness-of-fit parameter for all reflections included in the refinement: 1.71
• Diffraction radiation wavelength: 0.0251 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No