Information card for entry 2211741

Structure parameters

• Chemical name: Poly[aquabis(μ-pyrazine-2-carboxylato)nickel(II)]
• Formula: C10 H8 N4 Ni O5
• Calculated formula: C10 H8 N4 Ni O5
• SMILES: [Ni]12([n]3c(C(=O)O1)cncc3)([n]1c(C(=O)O2)cncc1)([OH2])[n]1cc2[n]([Ni]3([n]4c(C(=O)O3)cncc4)(OC2=O)[OH2])cc1
• Title of publication: Poly[aquabis(μ-pyrazine-2-carboxylato)nickel(II)]
• Authors of publication: Hao, Lu-Jiang; Mu, Chun-Hua; Liu, Tian-Tian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 1
• Pages of publication: m281 - m283
• a: 7.8001 ± 0.0002 Å
• b: 9.8818 ± 0.0012 Å
• c: 14.9112 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1149.34 ± 0.15 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0397
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0804
• Weighted residual factors for all reflections included in the refinement: 0.0854
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes