Information card for entry 7106919

Structure parameters

• Formula: C44 H42 Cu2 N12 O23
• Calculated formula: C44 H40 Cu2 N12 O23
• Title of publication: Two meta-organic frameworks based on a double azolium derivative: post-modification and catalytic activity
• Authors of publication: Guo-Qiang Kong; Xuan Xu; Chao Zou; Chuan-De Wu
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 11005
• a: 17.7 ± 0.0019 Å
• b: 18.053 ± 0.002 Å
• c: 8.6682 ± 0.0009 Å
• α: 90°
• β: 103.843 ± 0.011°
• γ: 90°
• Cell volume: 2689.4 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1236
• Residual factor for significantly intense reflections: 0.0819
• Weighted residual factors for significantly intense reflections: 0.1971
• Weighted residual factors for all reflections included in the refinement: 0.2243
• Goodness-of-fit parameter for all reflections included in the refinement: 1.167
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No