Information card for entry 4121240

Structure parameters

• Formula: C53 H35 O17 Zn4
• Calculated formula: C53 H35 O17 Zn4
• Title of publication: Programmed Pore Architectures in Modular Quaternary Metal-Organic Frameworks
• Authors of publication: Lujia Liu; Kristina Konstas; Matthew R. Hill; Shane G. Telfer
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 17731 - 17734
• a: 60.29 ± 0.002 Å
• b: 60.29 ± 0.002 Å
• c: 60.29 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 219147 ± 13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 220
• Hermann-Mauguin space group symbol: I -4 3 d
• Hall space group symbol: I -4bd 2c 3
• Residual factor for all reflections: 0.119
• Residual factor for significantly intense reflections: 0.0884
• Weighted residual factors for significantly intense reflections: 0.2573
• Weighted residual factors for all reflections included in the refinement: 0.2939
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No