Information card for entry 2202401

Structure parameters

• Formula: C7 H15 N Ni O10
• Calculated formula: C7 H15 N Ni O10
• SMILES: [Ni]1([OH2])([OH2])([OH2])([OH2])OC(=O)c2[n]1cc(cc2)C(=O)[O-].O.O
• Title of publication: <i>cis</i>-Tetraaqua(η^2^-pyridine-2,5-dicarboxylato-κ^2^<i>O,N</i>)nickel(II) dihydrate
• Authors of publication: Shiu, Kom-Bei; Chen, Zheng-Wei; Liao, Fen-Ling; Wang, Sue-Lein
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 11
• Pages of publication: m1072 - m1074
• a: 7.0177 ± 0.0005 Å
• b: 8.3138 ± 0.0006 Å
• c: 11.3906 ± 0.0008 Å
• α: 107.128 ± 0.001°
• β: 99.039 ± 0.001°
• γ: 102.748 ± 0.001°
• Cell volume: 601.6 ± 0.07 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0507
• Residual factor for significantly intense reflections: 0.0281
• Weighted residual factors for significantly intense reflections: 0.0518
• Weighted residual factors for all reflections included in the refinement: 0.0538
• Goodness-of-fit parameter for all reflections included in the refinement: 0.817
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes