Information card for entry 7053030

Structure parameters

• Formula: C26 H24 N2 O10 S2 Zn
• Calculated formula: C26 H24 N2 O10 S2 Zn
• SMILES: [O](=S(C)C)[Zn]12([n]3c(C(=O)O1)c(C(=O)O)cc1ccccc31)([n]1c(C(=O)O2)c(C(=O)O)cc2ccccc12)[O]=S(C)C
• 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: 8.4656 ± 0.0016 Å
• b: 8.9809 ± 0.0018 Å
• c: 9.2251 ± 0.0018 Å
• α: 76.535 ± 0.002°
• β: 85.007 ± 0.002°
• γ: 74.037 ± 0.002°
• Cell volume: 655.6 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0684
• Residual factor for significantly intense reflections: 0.0557
• Weighted residual factors for significantly intense reflections: 0.1385
• Weighted residual factors for all reflections included in the refinement: 0.1481
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No