Information card for entry 2212830

Structure parameters

• Chemical name: Tetraaquabis[4-(imidazol-1-yl)benzoato-κN^3^]nickel(II)
• Formula: C20 H22 N4 Ni O8
• Calculated formula: C20 H22 N4 Ni O8
• SMILES: [Ni]([n]1cn(cc1)c1ccc(cc1)C(=O)[O-])([n]1cn(cc1)c1ccc(cc1)C(=O)[O-])([OH2])([OH2])([OH2])[OH2]
• Title of publication: Tetraaquabis[4-(imidazol-1-yl)benzoato-κ<i>N</i>^3^]nickel(II)
• Authors of publication: Zhang, Ju-Zhou; Pan, Jian-Xin; Cao, Wei-Ran; Chen, Qian-Wang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 4
• Pages of publication: m1042 - m1043
• a: 12.148 ± 0.005 Å
• b: 10.807 ± 0.005 Å
• c: 7.943 ± 0.005 Å
• α: 90 ± 0.005°
• β: 97.045 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 1034.9 ± 0.9 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: 0.0479
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.1103
• Weighted residual factors for all reflections included in the refinement: 0.1279
• Goodness-of-fit parameter for all reflections included in the refinement: 0.928
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes