Information card for entry 4002148

Structure parameters

• Formula: C54 H43 N14 O Zn2
• Calculated formula: C54 H43 N14 O Zn2
• Title of publication: Water-Stable Metal‒Organic Frameworks for Fast and High Dichromate Trapping via Single-Crystal-to-Single-Crystal Ion Exchange
• Authors of publication: Fu, Hong-Ru; Xu, Zhong-Xuan; Zhang, Jian
• Journal of publication: Chemistry of Materials
• Year of publication: 2015
• Journal volume: 27
• Journal issue: 1
• Pages of publication: 205
• a: 34.4789 ± 0.0009 Å
• b: 29.8973 ± 0.0006 Å
• c: 16.2075 ± 0.0004 Å
• α: 90°
• β: 109.005 ± 0.002°
• γ: 90°
• Cell volume: 15796.4 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0591
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.1353
• Weighted residual factors for all reflections included in the refinement: 0.1441
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No