Information card for entry 7043618

Structure parameters

• Formula: C23 H17 Cu N3 O6
• Calculated formula: C23 H17 Cu N3 O6
• Title of publication: Hydrothermal assembly, structures, topologies, luminescence, and magnetism of a novel series of coordination polymers driven by a trifunctional nicotinic acid building block
• Authors of publication: Gu, Jinzhong; Liang, Xiaoxiao; Cai, Yan; Wu, Jiang; Shi, Zi-Fa; Kirillov, Alexander M.
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 7.1215 ± 0.0005 Å
• b: 17.7404 ± 0.001 Å
• c: 17.0416 ± 0.0017 Å
• α: 90°
• β: 98.33 ± 0.008°
• γ: 90°
• Cell volume: 2130.3 ± 0.3 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1288
• Residual factor for significantly intense reflections: 0.0616
• Weighted residual factors for significantly intense reflections: 0.0944
• Weighted residual factors for all reflections included in the refinement: 0.1272
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No