Information card for entry 7209584

Structure parameters

• Formula: C19 H19 Br2 Co N4 O4.5
• Calculated formula: C19 H19 Br2 Co N4 O4.5
• 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: 19.639 ± 0.003 Å
• b: 13.6527 ± 0.001 Å
• c: 19.0257 ± 0.0014 Å
• α: 90°
• β: 119.568 ± 0.007°
• γ: 90°
• Cell volume: 4436.9 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.096
• Residual factor for significantly intense reflections: 0.0646
• Weighted residual factors for significantly intense reflections: 0.1609
• Weighted residual factors for all reflections included in the refinement: 0.1786
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No