Information card for entry 4003219

Structure parameters

• Formula: C60 H48 In3 N12 O22
• Calculated formula: C60 H42 In3 N12 O22
• 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: 24.4186 ± 0.0005 Å
• b: 24.4186 ± 0.0005 Å
• c: 55.4757 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 28646.7 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 152
• Hermann-Mauguin space group symbol: P 31 2 1
• Hall space group symbol: P 31 2"
• Residual factor for all reflections: 0.1078
• Residual factor for significantly intense reflections: 0.0627
• Weighted residual factors for significantly intense reflections: 0.1506
• Weighted residual factors for all reflections included in the refinement: 0.1905
• Goodness-of-fit parameter for all reflections included in the refinement: 0.899
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No