Information card for entry 1564757

Structure parameters

• Formula: C13 H11 N Ni O6
• Calculated formula: C13 H11 N Ni O6
• Title of publication: Eight new coordination polymers containing rigid 4-(4-carboxy-phenyl)-pyridine-2-carboxylic acid: Synthesis, structural diversity, fluorescence and magnetic properties
• Authors of publication: Zhang, Xiao-Yu; Wen, Hui-Fang; Yang, Qing-Feng; Zhou, Rui-Sha; Song, Jiang-Feng
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2020
• Journal volume: 507
• Pages of publication: 119600
• a: 12.984 ± 0.0003 Å
• b: 7.3739 ± 0.0002 Å
• c: 13.4907 ± 0.0003 Å
• α: 90°
• β: 103.26 ± 0.001°
• γ: 90°
• Cell volume: 1257.2 ± 0.05 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0409
• Residual factor for significantly intense reflections: 0.0275
• Weighted residual factors for significantly intense reflections: 0.0598
• Weighted residual factors for all reflections included in the refinement: 0.066
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No