Information card for entry 4133668

Structure parameters

• Formula: C8 H4 N0 O7.75 Zn2
• Calculated formula: C8 H4 O7.75 Zn2
• Title of publication: Ligand Charge Separation To Build Highly Stable Quasi-Isomer of MOF-74-Zn.
• Authors of publication: Yang, Huajun; Peng, Fang; Dang, Candy; Wang, Yong; Hu, Dandan; Zhao, Xiang; Feng, Pingyun; Bu, Xianhui
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 25
• Pages of publication: 9808 - 9812
• a: 22.026 ± 0.004 Å
• b: 22.026 ± 0.004 Å
• c: 12.068 ± 0.002 Å
• α: 90 ± 0.03°
• β: 90 ± 0.03°
• γ: 120 ± 0.03°
• Cell volume: 5070 ± 2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 178
• Hermann-Mauguin space group symbol: P 61 2 2
• Hall space group symbol: P 61 2 (0 0 5)
• Residual factor for all reflections: 0.044
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.1329
• Weighted residual factors for all reflections included in the refinement: 0.1358
• Goodness-of-fit parameter for all reflections included in the refinement: 1.233
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No