Information card for entry 2214075

Structure parameters

• Chemical name: Bis(pyrazine-2-caboxylato-κ^2^N^1^,O)nickel(II)
• Formula: C10 H6 N4 Ni O4
• Calculated formula: C10 H6 N4 Ni O4
• SMILES: [Ni]12([n]3ccncc3C(=O)O1)[n]1ccncc1C(=O)O2
• Title of publication: Bis(pyrazine-2-carboxylato-κ^2^<i>N</i>^1^,<i>O</i>)nickel(II)
• Authors of publication: Gao, Yu-Xiang; Wang, Li-Bin; Hao, Xiang-Rong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: m1805 - m1805
• a: 5.0501 ± 0.0009 Å
• b: 15.37 ± 0.003 Å
• c: 7.0704 ± 0.0013 Å
• α: 90°
• β: 106.6 ± 0.02°
• γ: 90°
• Cell volume: 525.93 ± 0.18 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0414
• Residual factor for significantly intense reflections: 0.0275
• Weighted residual factors for significantly intense reflections: 0.0507
• Weighted residual factors for all reflections included in the refinement: 0.0557
• 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