Information card for entry 7235758

Structure parameters

• Formula: C12 H8 N7 O4 Zn2
• Calculated formula: C12 H8 N7 O4 Zn2
• Title of publication: Controllable synthesis of isoreticular pillared-layer MOFs: gas adsorption, iodine sorption and sensing small molecules
• Authors of publication: Hu, Xiao-Li; Liu, Fu-Hong; Wang, Hai-Ning; Qin, Chao; Sun, Chun-Yi; Su, Zhong-Min; Liu, Fu-Chen
• Journal of publication: J. Mater. Chem. A
• Year of publication: 2014
• Journal volume: 2
• Journal issue: 36
• Pages of publication: 14827
• a: 13.53 ± 0.005 Å
• b: 13.53 ± 0.005 Å
• c: 27.172 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4974 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 130
• Hermann-Mauguin space group symbol: P 4/n c c :2
• Hall space group symbol: -P 4a 2ac
• Residual factor for all reflections: 0.0506
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.1524
• Weighted residual factors for all reflections included in the refinement: 0.1583
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No