Information card for entry 8102522

Structure parameters

• Chemical name: (6-(5-carboxypyridin-2-yl)nicotinic) nickel(II) tetrahydrate, C~12~H~14~N~2~NiO~8~
• Formula: C12 H14 N2 Ni O8
• Calculated formula: C12 H14 N2 Ni O8
• SMILES: [Ni]1([n]2cc(ccc2c2[n]1cc(cc2)C(=O)[O-])C(=O)[O-])([OH2])([OH2])([OH2])[OH2]
• Title of publication: Crystal structure of tetraaqua-[6-(5-carboxypyridin-2-yl)nicotinato]nickel(II), Ni(H2O)4(C12H6N2O4)
• Authors of publication: Ling Jiang; Ji-Wu Wang; Yi-Xia Ren; Ji-Jiang Wang; Xiang-Yang Hou
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2009
• Journal volume: 224
• Journal issue: 4
• Pages of publication: 567
• a: 6.9916 ± 0.0019 Å
• b: 10.186 ± 0.003 Å
• c: 10.493 ± 0.003 Å
• α: 98.891 ± 0.003°
• β: 104.402 ± 0.003°
• γ: 97.69 ± 0.003°
• Cell volume: 703.4 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0246
• Residual factor for significantly intense reflections: 0.0229
• Weighted residual factors for significantly intense reflections: 0.063
• Weighted residual factors for all reflections included in the refinement: 0.064
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No