Information card for entry 2204677

Structure parameters

• Chemical name: aqua[p-phenylenebis(dioxyacetato)-κO]tetrakis(1H-imidazole-κN^3^)nickel(II) monohydrate
• Formula: C22 H28 N8 Ni O8
• Calculated formula: C22 H28 N8 Ni O8
• SMILES: [Ni]([n]1c[nH]cc1)([n]1c[nH]cc1)([n]1c[nH]cc1)([n]1c[nH]cc1)(OC(=O)COc1cccc(OCC(=O)[O-])c1)[OH2].O
• Title of publication: Aqua(benzene-1,3-dioxyacetato-κ<i>O</i>)tetrakis(1<i>H</i>-imidazole-κ<i>N</i>^3^)nickel(II) monohydrate
• Authors of publication: Gao, Shan; Liu, Ji-Wei; Huo, Li-Hua; Zhao, Hui; Zhao, Jing-Gui
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 12
• Pages of publication: m1754 - m1756
• a: 8.3099 ± 0.0017 Å
• b: 9.896 ± 0.002 Å
• c: 16.986 ± 0.003 Å
• α: 75.95 ± 0.03°
• β: 75.93 ± 0.03°
• γ: 87.62 ± 0.03°
• Cell volume: 1314.2 ± 0.5 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: 0.0714
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.1031
• Weighted residual factors for all reflections included in the refinement: 0.1116
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes