Information card for entry 7229835

Structure parameters

• Formula: C60 H56 N6 Ni3 O22
• Calculated formula: C60 H56 N6 Ni3 O22
• 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: 7.7854 ± 0.0005 Å
• b: 13.5993 ± 0.0011 Å
• c: 14.8167 ± 0.001 Å
• α: 110.658 ± 0.007°
• β: 98.024 ± 0.006°
• γ: 99.705 ± 0.006°
• Cell volume: 1412.8 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0669
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.1155
• Weighted residual factors for all reflections included in the refinement: 0.129
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No