Information card for entry 2210571

Structure parameters

• Chemical name: Tetraaquabis(1-carboxylatomethylpyridinium-4-carboxylato)nickel(II)
• Formula: C16 H20 N2 Ni O12
• Calculated formula: C16 H20 N2 Ni O12
• SMILES: [Ni]([OH2])([OH2])([OH2])([OH2])(OC(=O)c1cc[n+](cc1)CC(=O)[O-])OC(=O)c1cc[n+](cc1)CC(=O)[O-]
• Title of publication: Tetraaquabis(1-carboxylatomethylpyridinium-4-carboxylato)nickel(II)
• Authors of publication: Hong-Song Li; Song Li; Song-Lin Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 10
• Pages of publication: m2487 - m2488
• a: 6.467 ± 0.0005 Å
• b: 19.116 ± 0.002 Å
• c: 7.7037 ± 0.0016 Å
• α: 90°
• β: 92.344 ± 0.011°
• γ: 90°
• Cell volume: 951.6 ± 0.2 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0367
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.0752
• Weighted residual factors for all reflections included in the refinement: 0.0776
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes