Information card for entry 2230702

Structure parameters

• Chemical name: <i>trans</i>-Diaquabis(1<i>H</i>-imidazole-4-carboxylato- κ^2^<i>N</i>^3^,<i>O</i>^4^)nickel(II)
• Formula: C8 H10 N4 Ni O6
• Calculated formula: C8 H10 N4 Ni O6
• SMILES: C1(=O)c2c[nH]c[n]2[Ni]2([n]3c(C(=O)O2)c[nH]c3)(O1)([OH2])[OH2]
• Title of publication: <i>trans</i>-Diaquabis(1<i>H</i>-imidazole-4-carboxylato-κ^2^<i>N</i>^3^,<i>O</i>^4^)nickel(II)
• Authors of publication: Zheng, Shengrun; Cai, Songliang; Fan, Jun; Zhang, Weiguang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 7
• Pages of publication: m865
• a: 6.6123 ± 0.0018 Å
• b: 12.267 ± 0.003 Å
• c: 7.239 ± 0.002 Å
• α: 90°
• β: 101.059 ± 0.003°
• γ: 90°
• Cell volume: 576.3 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0301
• Residual factor for significantly intense reflections: 0.0268
• Weighted residual factors for significantly intense reflections: 0.068
• Weighted residual factors for all reflections included in the refinement: 0.07
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes