Information card for entry 2203837

Structure parameters

• Common name: Hexa(imidazole)nickel(II) benzene-1,3-dioxyacetate
• Chemical name: hexakis(1H-imidazole-κN^3^)nickel(II) (m-phenylenedioxy)diacetate
• Formula: C28 H32 N12 Ni O6
• Calculated formula: C28 H32 N12 Ni O6
• SMILES: [Ni]([n]1c[nH]cc1)([n]1c[nH]cc1)([n]1c[nH]cc1)([n]1c[nH]cc1)([n]1c[nH]cc1)[n]1c[nH]cc1.[O-]C(=O)COc1cccc(OCC(=O)[O-])c1
• Title of publication: Hexakis(1<i>H</i>-imidazole-κ<i>N</i>^3^)nickel(II) benzene-1,3-dioxyacetate
• Authors of publication: Gao, Shan; Liu, Ji-Wei; Dong, Yu; Huo, Li-Hua; Zhao, Hui
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 6
• Pages of publication: m778 - m780
• a: 8.998 ± 0.002 Å
• b: 11.741 ± 0.002 Å
• c: 15.836 ± 0.003 Å
• α: 102.28 ± 0.03°
• β: 106.11 ± 0.03°
• γ: 90.14 ± 0.03°
• Cell volume: 1567.2 ± 0.6 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: 0.072
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.105
• Weighted residual factors for all reflections included in the refinement: 0.118
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes