Information card for entry 7229834

Structure parameters

• Formula: C20 H17 Mn N5 O8
• Calculated formula: C20 H17 Mn N5 O8
• 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: 20.3749 ± 0.0019 Å
• b: 7.5106 ± 0.0006 Å
• c: 16.0252 ± 0.0015 Å
• α: 90°
• β: 124.774 ± 0.014°
• γ: 90°
• Cell volume: 2014.3 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0609
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.082
• Weighted residual factors for all reflections included in the refinement: 0.0915
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No