Information card for entry 4003216

Structure parameters

• Formula: C33 H24 Cu3 N6 O18
• Calculated formula: C33 H18 Cu3 N6 O18
• Title of publication: De Novo Tailoring Pore Morphologies and Sizes for Different Substrates in a Urea-Containing MOFs Catalytic Platform
• Authors of publication: Ju, Zhanfeng; Yan, Shichen; Yuan, Daqiang
• Journal of publication: Chemistry of Materials
• Year of publication: 2016
• Journal volume: 28
• Journal issue: 7
• Pages of publication: 2000
• a: 30.4638 ± 0.0003 Å
• b: 30.4638 ± 0.0003 Å
• c: 44.2772 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 41091.2 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 87
• Hermann-Mauguin space group symbol: I 4/m
• Hall space group symbol: -I 4
• Residual factor for all reflections: 0.1083
• Residual factor for significantly intense reflections: 0.0764
• Weighted residual factors for significantly intense reflections: 0.2187
• Weighted residual factors for all reflections included in the refinement: 0.258
• Goodness-of-fit parameter for all reflections included in the refinement: 0.974
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No