Information card for entry 1565210

Structure parameters

• Formula: C12 H14 N4 Ni O12
• Calculated formula: C12 H14 N4 Ni O12
• SMILES: c1(CO)[n]2[Ni]3([OH2])([n]4c(C(=O)O3)c(C(=O)O)[nH]c4CO)(OC(=O)c2c([nH]1)C(=O)O)[OH2]
• Title of publication: Synthesis, crystal structure, and BSA binding studies of new Co(II) and Ni(II) complexes of 2-(hydroxymethyl)-1H-imidazole-4,5-dicarboxylate
• Authors of publication: Li, Xiao-Fei; Yang, Yan-Qiu; Li, Ya-Xue; Yang, Huai-Xia; Zhao, Wen-Feng; Meng, Xiang-Ru
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2020
• Journal volume: 505
• Pages of publication: 119469
• a: 6.5445 ± 0.0013 Å
• b: 13.644 ± 0.003 Å
• c: 9.4681 ± 0.0019 Å
• α: 90°
• β: 104.72 ± 0.03°
• γ: 90°
• Cell volume: 817.7 ± 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: 0.0554
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.099
• Weighted residual factors for all reflections included in the refinement: 0.1035
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No