Information card for entry 7058376

Structure parameters

• Formula: C76 H80 Cu3 N16 O20
• Calculated formula: C76 H80 Cu3 N16 O20
• Title of publication: Fluorescence sensing and magnetic properties of three coordination polymers based on 6-(3,5-dicarboxylphenyl)nicotinic acid and pyridine/imidazole linkers
• Authors of publication: Zhang, Jie; Gao, Lingling; Wang, Yang; Zhai, Lijun; Wang, Xiaoqing; Niu, Xiaoyan; Hu, Tuoping
• Journal of publication: New Journal of Chemistry
• Year of publication: 2019
• Journal volume: 43
• Journal issue: 24
• Pages of publication: 9376
• a: 14.0116 ± 0.0018 Å
• b: 19.843 ± 0.003 Å
• c: 15.3662 ± 0.0019 Å
• α: 90°
• β: 108.191 ± 0.003°
• γ: 90°
• Cell volume: 4058.8 ± 1 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0961
• Residual factor for significantly intense reflections: 0.0599
• Weighted residual factors for significantly intense reflections: 0.1584
• Weighted residual factors for all reflections included in the refinement: 0.1818
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No