Information card for entry 2215187

Structure parameters

• Chemical name: Bis(pyrazine-2-carboxylato-κ^2^N^1^,O^2^)nickel(II) dihydrate
• Formula: C10 H10 N4 Ni O6
• Calculated formula: C10 H10 N4 Ni O6
• SMILES: [Ni]12([n]3c(C(=O)O1)cncc3)[n]1c(C(=O)O2)cncc1.O.O
• Title of publication: Bis(pyrazine-2-carboxylato-κ^2^<i>N</i>^1^,<i>O</i>^2^)nickel(II) dihydrate
• Authors of publication: Hao, Lujiang; Yu, Tongli
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 9
• Pages of publication: m2415 - m2415
• a: 5.5576 ± 0.0006 Å
• b: 7.3252 ± 0.0009 Å
• c: 9.3021 ± 0.0011 Å
• α: 75.065 ± 0.002°
• β: 84.298 ± 0.002°
• γ: 71.503 ± 0.002°
• Cell volume: 346.93 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0429
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.0937
• Weighted residual factors for all reflections included in the refinement: 0.0963
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes