Information card for entry 2237425

Structure parameters

• Chemical name: Bis(3-aminopyrazine-2-carboxylato-κ^2^<i>N</i>^1^,<i>O</i>)diaquacobalt(II)
• Formula: C10 H12 Co N6 O6
• Calculated formula: C10 H12 Co N6 O6
• SMILES: c1cnc(c2C(=O)O[Co]3([OH2])([n]12)([n]1ccnc(c1C(=O)O3)N)[OH2])N
• Title of publication: Bis(3-aminopyrazine-2-carboxylato-κ^2^<i>N</i>^1^,<i>O</i>)diaquacobalt(II)
• Authors of publication: Bouchene, Rafika; Bouacida, Sofiane; Berrah, Fadila; Belhouas, Ratiba; Merazig, Hocine
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 2
• Pages of publication: m129 - m130
• a: 7.8823 ± 0.0002 Å
• b: 12.7467 ± 0.0002 Å
• c: 13.6851 ± 0.0003 Å
• α: 90°
• β: 91.918 ± 0.001°
• γ: 90°
• Cell volume: 1374.22 ± 0.05 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0636
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0773
• Weighted residual factors for all reflections included in the refinement: 0.0824
• Goodness-of-fit parameter for all reflections included in the refinement: 0.919
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes