Information card for entry 1561037

Structure parameters

• Formula: C30 H28 Co N12 O12
• Calculated formula: C30 H28 Co N12 O12
• SMILES: [Co]([OH2])([OH2])(n1nnc(n1)c1cc(cc(c1)C(=O)O)C(=O)O)(n1nnc(n1)c1cc(cc(c1)C(=O)O)C(=O)O)([n]1cn(c2ccc(n3cncc3)cc2)cc1)[n]1cn(c2ccc(n3c[n]([Co]([OH2])([OH2])(n4nnc(n4)c4cc(cc(c4)C(=O)O)C(=O)O)n4nnc(n4)c4cc(cc(c4)C(=O)O)C(=O)O)cc3)cc2)cc1.O.O.O.O
• Title of publication: Three coordination polymers based on 5-(1H-tetrazol-5-yl)isophthalic acid: Syntheses, structure, magnetic properties
• Authors of publication: Fan, Liming; Gao, Lingling; Ren, Guohua; Zhang, Jie; Huo, Liangqin; Wang, Xiaoqing; Niu, Xiaoyan; Hu, Tuoping
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2018
• Journal volume: 264
• Pages of publication: 15 - 21
• a: 6.1802 ± 0.0003 Å
• b: 10.5379 ± 0.0006 Å
• c: 13.6598 ± 0.0008 Å
• α: 73.355 ± 0.005°
• β: 86.811 ± 0.004°
• γ: 73.55 ± 0.005°
• Cell volume: 817.13 ± 0.08 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: 0.0318
• Residual factor for significantly intense reflections: 0.0286
• Weighted residual factors for significantly intense reflections: 0.0698
• Weighted residual factors for all reflections included in the refinement: 0.0716
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No