Information card for entry 7053028

Structure parameters

• Formula: C22 H16 N2 O10 Zn
• Calculated formula: C22 H16 N2 O10 Zn
• SMILES: C1(=O)c2c(C(=O)O)cc3c([n]2[Zn]2(O1)([n]1c(C(=O)O2)c(C(=O)O)cc2ccccc12)([OH2])[OH2])cccc3
• 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: 7.4062 ± 0.0017 Å
• b: 9.136 ± 0.002 Å
• c: 9.415 ± 0.003 Å
• α: 110.466 ± 0.004°
• β: 98.32 ± 0.004°
• γ: 111.664 ± 0.003°
• Cell volume: 526.5 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.065
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.1362
• Weighted residual factors for all reflections included in the refinement: 0.1442
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No