Information card for entry 2205992

Structure parameters

• Chemical name: Tris(1H-imidazole-κN^3^)(D,L-malato-κ^3^O,O',O'')nickel(II)
• Formula: C13 H16 N6 Ni O5
• Calculated formula: C13 H16 N6 Ni O5
• SMILES: [Ni]12([n]3c[nH]cc3)([n]3c[nH]cc3)([n]3c[nH]cc3)OC(=O)C([OH]2)CC(=O)O1
• Title of publication: Tris(1<i>H</i>-imidazole-κ<i>N</i>^3^)(<small>DL</small>-malato-κ^3^<i>O</i>,<i>O</i>',<i>O</i>'')nickel(II)
• Authors of publication: Dong-Dong Lin; Duan-Jun Xu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 6
• Pages of publication: m1215 - m1217
• a: 8.4419 ± 0.0004 Å
• b: 8.5266 ± 0.0002 Å
• c: 22.3912 ± 0.0004 Å
• α: 90°
• β: 90.584 ± 0.0011°
• γ: 90°
• Cell volume: 1611.65 ± 0.09 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.044
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.086
• Weighted residual factors for all reflections included in the refinement: 0.089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes