Information card for entry 2227806

Structure parameters

• Chemical name: Tetrakis(1<i>H</i>-imidazole-κ<i>N</i>^3^)(2-phenylpropanedioato- κ^2^<i>O</i>^1^,<i>O</i>^3^)nickel(II)
• Formula: C21 H22 N8 Ni O4
• Calculated formula: C21 H22 N8 Ni O4
• SMILES: [Ni]1(OC(=O)C(C(=O)O1)c1ccccc1)([n]1c[nH]cc1)([n]1c[nH]cc1)([n]1c[nH]cc1)[n]1c[nH]cc1
• Title of publication: Tetrakis(1<i>H</i>-imidazole-κ<i>N</i>^3^)(2-phenylpropanedioato-κ^2^<i>O</i>^1^,<i>O</i>^3^)nickel(II)
• Authors of publication: Zhang, Kou-Lin; Diao, Guo-Wang; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 11
• Pages of publication: m1430
• a: 8.5358 ± 0.0008 Å
• b: 13.3148 ± 0.0012 Å
• c: 20.6996 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2352.6 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0723
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.0771
• Weighted residual factors for all reflections included in the refinement: 0.0863
• Goodness-of-fit parameter for all reflections included in the refinement: 0.981
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes