Information card for entry 2224259

Structure parameters

• Chemical name: Ammonium tris(3-aminopyrazine-2-carboxylato-κ^2^<i>N</i>^1^,<i>O</i>)nickelate(II) trihydrate
• Formula: C15 H22 N10 Ni O9
• Calculated formula: C15 H22 N10 Ni O9
• SMILES: [Ni]123(OC(=O)c4[n]1ccnc4N)(OC(=O)c1[n]2ccnc1N)OC(=O)c1[n]3ccnc1N.O.O.O.[NH4+]
• Title of publication: Ammonium tris(3-aminopyrazine-2-carboxylato-κ^2^<i>N</i>^1^,<i>O</i>)nickelate(II) trihydrate
• Authors of publication: Cheng, Xiao-Li; Gao, Shan; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: m1631 - m1632
• a: 11.2092 ± 0.0003 Å
• b: 14.7061 ± 0.0004 Å
• c: 13.754 ± 0.0004 Å
• α: 90°
• β: 97.5214 ± 0.0008°
• γ: 90°
• Cell volume: 2247.75 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0428
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0898
• Weighted residual factors for all reflections included in the refinement: 0.0956
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes