Information card for entry 2237949

Structure parameters

• Chemical name: Bis(3-aminopyrazine-2-carboxylato-κ^2^<i>N</i>^1^,<i>O</i>)diaquanickel(II) dihydrate
• Formula: C10 H16 N6 Ni O8
• Calculated formula: C10 H16 N6 Ni O8
• SMILES: C1(=O)O[Ni]2([n]3c1c(ncc3)N)([n]1c(C(=O)O2)c(ncc1)N)([OH2])[OH2].O.O
• Title of publication: Bis(3-aminopyrazine-2-carboxylato-κ^2^<i>N</i>^1^,<i>O</i>)diaquanickel(II) dihydrate
• Authors of publication: Bouchene, Rafika; Khadri, Amina; Bouacida, Sofiane; Berrah, Fadila; Merazig, Hocine
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 6
• Pages of publication: m309 - m310
• a: 9.7939 ± 0.0015 Å
• b: 5.1123 ± 0.0009 Å
• c: 16.776 ± 0.003 Å
• α: 90°
• β: 115.838 ± 0.011°
• γ: 90°
• Cell volume: 756 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0368
• Residual factor for significantly intense reflections: 0.0275
• Weighted residual factors for significantly intense reflections: 0.0681
• Weighted residual factors for all reflections included in the refinement: 0.0729
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes