Information card for entry 1562406

Structure parameters

• Formula: C10 N5 O0.5 Zn1.5
• Calculated formula: C10 N5 O0.5 Zn1.5
• Title of publication: On the completeness of three-dimensional electron diffraction data for structural analysis of metal-organic frameworks.
• Authors of publication: Ge, Meng; Yang, Taimin; Wang, Yanzhi; Carraro, Francesco; Liang, Weibin; Doonan, Christian; Falcaro, Paolo; Zheng, Haoquan; Zou, Xiaodong; Huang, Zhehao
• Journal of publication: Faraday discussions
• Year of publication: 2021
• Journal volume: 231
• Journal issue: 0
• Pages of publication: 66 - 80
• a: 13.654 ± 0.0019 Å
• b: 14.936 ± 0.003 Å
• c: 14.311 ± 0.002 Å
• α: 90°
• β: 118.162 ± 0.011°
• γ: 90°
• Cell volume: 2573 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.1809
• Residual factor for significantly intense reflections: 0.1502
• Weighted residual factors for significantly intense reflections: 0.4058
• Weighted residual factors for all reflections included in the refinement: 0.4266
• Goodness-of-fit parameter for all reflections included in the refinement: 1.504
• Diffraction radiation wavelength: 0.0251 Å
• Diffraction radiation type: electron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No