Information card for entry 2211021

Structure parameters

• Formula: C16 H26 Ni O14
• Calculated formula: C16 H26 Ni O14
• SMILES: C(=O)(c1ccc(cc1)C=O)O[Ni]([OH2])([OH2])(OC(=O)c1ccc(cc1)C=O)([OH2])[OH2].O.O.O.O
• Title of publication: Tetraaquabis(4-formylbenzoato-κ<i>O</i>)nickel(II) tetrahydrate
• Authors of publication: Deng, Zhao-Peng; Gao, Shan; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 11
• Pages of publication: m2904 - m2905
• a: 7.124 ± 0.004 Å
• b: 7.47 ± 0.004 Å
• c: 11.488 ± 0.008 Å
• α: 77.1 ± 0.03°
• β: 78.6 ± 0.03°
• γ: 64.03 ± 0.02°
• Cell volume: 532.3 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.031
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.079
• Weighted residual factors for all reflections included in the refinement: 0.08
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes