Information card for entry 4341157

Structure parameters

• Formula: C66 H36 N2 O41 Zn7
• Calculated formula: C66 H36 N2 O41 Zn7
• Title of publication: Improving the Porosity and Catalytic Capacity of a Zinc Paddlewheel Metal-Organic Framework (MOF) through Metal-Ion Metathesis in a Single-Crystal-to-Single-Crystal Fashion.
• Authors of publication: Yang, Jie; Wang, Xiaoqing; Dai, Fangna; Zhang, Liangliang; Wang, Rongming; Sun, Daofeng
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 19
• Pages of publication: 10649 - 10653
• a: 38.591 ± 0.0008 Å
• b: 38.591 ± 0.0008 Å
• c: 38.591 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 57472 ± 2 ų
• Cell temperature: 263 ± 2 K
• Ambient diffraction temperature: 263.15 K
• Number of distinct elements: 5
• Space group number: 225
• Hermann-Mauguin space group symbol: F m -3 m
• Hall space group symbol: -F 4 2 3
• Residual factor for all reflections: 0.1048
• Residual factor for significantly intense reflections: 0.076
• Weighted residual factors for significantly intense reflections: 0.2391
• Weighted residual factors for all reflections included in the refinement: 0.2614
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No