Information card for entry 1564762

Structure parameters

• Formula: C26 H16 Cu N2 O8
• Calculated formula: C26 H16 Cu N2 O8
• SMILES: OC(=O)c1ccc(c2cc3C(=O)O[Cu]4([n]3cc2)[n]2c(C(=O)O4)cc(cc2)c2ccc(cc2)C(=O)O)cc1
• 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: 5.0488 ± 0.0001 Å
• b: 7.0315 ± 0.0002 Å
• c: 15.7214 ± 0.0005 Å
• α: 90.55 ± 0.001°
• β: 97.649 ± 0.001°
• γ: 106.136 ± 0.001°
• Cell volume: 530.73 ± 0.03 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: 0.0253
• Residual factor for significantly intense reflections: 0.0241
• Weighted residual factors for significantly intense reflections: 0.0644
• Weighted residual factors for all reflections included in the refinement: 0.0651
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No