Information card for entry 2210099

Structure parameters

• Chemical name: Diaqua(pyridine-2,6-dicarboxylato)nickel(II)
• Formula: C7 H7 N Ni O6
• Calculated formula: C7 H7 N Ni O6
• SMILES: [Ni]12([n]3c(C(=O)O1)cccc3C(=O)O2)([OH2])[OH2]
• Title of publication: Diaqua(pyridine-2,6-dicarboxylato)nickel(II)
• Authors of publication: Liu, Ying; Dou, Jian-Min; Wang, Daqi; Zhang, Xian-Xi; Zhou, Lei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 9
• Pages of publication: m2208 - m2209
• a: 4.7042 ± 0.0004 Å
• b: 8.9656 ± 0.0007 Å
• c: 10.3228 ± 0.0008 Å
• α: 81.103 ± 0.002°
• β: 85.72 ± 0.002°
• γ: 83.333 ± 0.002°
• Cell volume: 426.51 ± 0.06 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: 0.0446
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.0994
• Weighted residual factors for all reflections included in the refinement: 0.1031
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes