Information card for entry 7053027

Structure parameters

• Formula: C28 H22 N2 O10 Zn
• Calculated formula: C28 H22 N2 O10 Zn
• SMILES: c1(cc2ccccc2[n]2[Zn]3([n]4c(C(=O)O3)c(C(=O)O)cc3ccccc43)(OC(=O)c12)([OH2])[OH2])C(=O)O.c1ccccc1
• Title of publication: Assemblies of several supramolecular networks containing quinoline-2,3-dicarboxylic acid
• Authors of publication: Hong, Xu-Jia; Wang, Ming-Fang; Jia, Hong-Yang; Li, Wei-Xing; Li, Jing; Liu, Yi-Ting; Jin, Hong-Guang; Cai, Yue-Peng
• Journal of publication: New Journal of Chemistry
• Year of publication: 2013
• Journal volume: 37
• Journal issue: 4
• Pages of publication: 933
• a: 17.912 ± 0.004 Å
• b: 7.1061 ± 0.0015 Å
• c: 20.966 ± 0.004 Å
• α: 90°
• β: 107.44 ± 0.002°
• γ: 90°
• Cell volume: 2546 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0831
• Residual factor for significantly intense reflections: 0.0621
• Weighted residual factors for significantly intense reflections: 0.1918
• Weighted residual factors for all reflections included in the refinement: 0.2094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.127
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No