Information card for entry 7124295

Structure parameters

• Formula: C12 H10 N4 O4 Zn
• Calculated formula: C12 H10 N4 O4 Zn
• Title of publication: Porous functionalized MOF self-evolution promoting molecule encapsulation and Hg2+ removal
• Authors of publication: Hou, Hongwei; Shao, Chao Zhi; Yu, Cai-Xia; Xie, Qiong; Wu, Qiong; Zhao, Yujie
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 15.465 ± 0.003 Å
• b: 15.465 ± 0.003 Å
• c: 6.3597 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1317.2 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 171
• Hermann-Mauguin space group symbol: P 62
• Hall space group symbol: P 62
• Residual factor for all reflections: 0.0192
• Residual factor for significantly intense reflections: 0.019
• Weighted residual factors for significantly intense reflections: 0.0459
• Weighted residual factors for all reflections included in the refinement: 0.0461
• Goodness-of-fit parameter for all reflections included in the refinement: 0.777
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No