Information card for entry 7058377

Structure parameters

• Formula: C112 H94 N18 Ni3 O21
• Calculated formula: C112 H94 N18 Ni3 O21
• 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: 10.107 ± 0.005 Å
• b: 13.46 ± 0.008 Å
• c: 23.318 ± 0.014 Å
• α: 92.653 ± 0.007°
• β: 95.757 ± 0.009°
• γ: 109.755 ± 0.006°
• Cell volume: 2960 ± 3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298.15 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: 0.1601
• Residual factor for significantly intense reflections: 0.0627
• Weighted residual factors for significantly intense reflections: 0.1441
• Weighted residual factors for all reflections included in the refinement: 0.1821
• Goodness-of-fit parameter for all reflections included in the refinement: 0.902
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No