Information card for entry 7030127

Structure parameters

• Formula: C22 H16 Co N2 O10
• Calculated formula: C22 H16 Co N2 O10
• SMILES: C1(=O)c2c(C(=O)O)cc3c([n]2[Co]2(O1)([n]1c(C(=O)O2)c(C(=O)O)cc2ccccc12)([OH2])[OH2])cccc3
• Title of publication: Temperature-/solvent-dependent low-dimensional compounds based on quinoline-2,3-dicarboxylic acid: structures and fluorescent properties.
• Authors of publication: Wang, Ming-Fang; Hong, Xu-Jia; Zhan, Qing-Guang; Jin, Hong-Guang; Liu, Yi-Ting; Zheng, Zhi-Peng; Xu, Shi-Hai; Cai, Yue-Peng
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 38
• Pages of publication: 11898 - 11906
• a: 7.3968 ± 0.0014 Å
• b: 9.1349 ± 0.0018 Å
• c: 9.41 ± 0.003 Å
• α: 110.547 ± 0.004°
• β: 98.24 ± 0.004°
• γ: 111.63 ± 0.002°
• Cell volume: 525.6 ± 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: 0.104
• Residual factor for significantly intense reflections: 0.0645
• Weighted residual factors for significantly intense reflections: 0.1143
• Weighted residual factors for all reflections included in the refinement: 0.1402
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No