Information card for entry 4325867

Structure parameters

• Formula: C64 H66 N12 O25 Zn4
• Calculated formula: C64 H66 N12 O25 Zn4
• Title of publication: Rational Construction of 3D Pillared Metal-Organic Frameworks: Synthesis, Structures, and Hydrogen Adsorption Properties
• Authors of publication: Ze Chang; Da-Shuai Zhang; Qiang Chen; Rui-Fang Li; Tong-Liang Hu; Xian-He Bu
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 7555 - 7562
• a: 29.943 ± 0.006 Å
• b: 13.921 ± 0.003 Å
• c: 18.994 ± 0.004 Å
• α: 90°
• β: 115.81 ± 0.03°
• γ: 90°
• Cell volume: 7128 ± 3 ų
• Cell temperature: 113 K
• Ambient diffraction temperature: 113 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: 0.2052
• Residual factor for significantly intense reflections: 0.1272
• Weighted residual factors for significantly intense reflections: 0.2845
• Weighted residual factors for all reflections included in the refinement: 0.341
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No