Information card for entry 2200917

Structure parameters

• Formula: C12 H14 N4 Ni O6
• Calculated formula: C12 H14 N4 Ni O6
• SMILES: [Ni]1234(OC(=O)[C@@H]([OH]2)Cc2c[nH]c[n]12)OC(=O)[C@@H]([OH]3)Cc1c[nH]c[n]14
• Title of publication: Bis[2-hydroxy-3-(1<i>H</i>-imidazol-4-yl)propionato]nickel(II)
• Authors of publication: Odoko, Mamiko; Adachi, Yukari; Okabe, Nobuo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 1
• Pages of publication: m7 - m9
• a: 10.631 ± 0.003 Å
• b: 13.283 ± 0.003 Å
• c: 5.214 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 736.3 ± 0.5 ų
• Cell temperature: 296.2 K
• Number of distinct elements: 5
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for significantly intense reflections: 0.0194
• Weighted residual factors for all reflections included in the refinement: 0.0573
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes