Information card for entry 7229837

Structure parameters

• Formula: C38 H31 N5 Ni O10
• Calculated formula: C38 H31 N5 Ni O10
• SMILES: [Ni]123([n]4c(C(=O)O3)ccc(c4)c3cc(C(=O)O)c(C(=O)[O-])cc3)([n]3cccc4c3c3[n]1cccc3cc4)[n]1cccc3c1c1[n]2cccc1cc3.O.O.O.O
• Title of publication: Bringing 5-(3,4-dicarboxylphenyl)picolinic acid to crystal engineering research: hydrothermal assembly, structural features, and photocatalytic activity of Mn, Ni, Cu, and Zn coordination polymers
• Authors of publication: Gu, Jin-Zhong; Cai, Yan; Liang, Xiao-Xiao; Wu, Jiang; Shi, Zi-Fa; Kirillov, Alexander M.
• Journal of publication: CrystEngComm
• Year of publication: 2018
• Journal volume: 20
• Journal issue: 7
• Pages of publication: 906
• a: 14.3761 ± 0.0017 Å
• b: 12.3797 ± 0.0014 Å
• c: 19.691 ± 0.002 Å
• α: 90°
• β: 102.829 ± 0.01°
• γ: 90°
• Cell volume: 3417 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1676
• Residual factor for significantly intense reflections: 0.0828
• Weighted residual factors for significantly intense reflections: 0.1942
• Weighted residual factors for all reflections included in the refinement: 0.2622
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No