Information card for entry 7209579

Structure parameters

• Formula: C23 H21 Cd N4 O4
• Calculated formula: C23 H21 Cd N4 O4
• Title of publication: Stoichiometry, temperature, solvent, metal-directed syntheses of metal‒organic frameworks based on flexible V-shaped methylenebis(3,5-dimethylpyrazole) and various aromatic dicarboxylate acids
• Authors of publication: Guo, Xiang-Guang; Yang, Wen-Bin; Wu, Xiao-Yuan; Zhang, Qi-Kai; Lin, Lang; Yu, RongMin; Lu, Can-Zhong
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 18
• Pages of publication: 3654
• a: 20.3025 ± 0.0012 Å
• b: 14.0277 ± 0.0003 Å
• c: 19.7191 ± 0.0007 Å
• α: 90°
• β: 120.074 ± 0.005°
• γ: 90°
• Cell volume: 4859.9 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0924
• Residual factor for significantly intense reflections: 0.0823
• Weighted residual factors for significantly intense reflections: 0.2423
• Weighted residual factors for all reflections included in the refinement: 0.2654
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No