Information card for entry 2105088

Structure parameters

• Formula: C75 H44 N8 O23.04 Zn5
• Calculated formula: C75 H44 N8 O23.037 Zn5
• Title of publication: Two novel Zn-MOFs: structures and characterization
• Authors of publication: Zheng, Ran; Han, Lei; Pan, Qinhe; Christensen, Kirsten E.; Ren, Tiezhen
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 2
• Pages of publication: 158 - 163
• a: 33.957 ± 0.003 Å
• b: 23.8834 ± 0.0017 Å
• c: 17.1688 ± 0.0012 Å
• α: 90°
• β: 90.079 ± 0.001°
• γ: 90°
• Cell volume: 13924 ± 1.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0472
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.0862
• Weighted residual factors for all reflections included in the refinement: 0.0923
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.6889 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes