Information card for entry 2207650

Structure parameters

• Chemical name: Tetraaquabis(3,5-dihydroxybenzoato-κO)nickel(II) trihydrate
• Formula: C14 H24 Ni O15
• Calculated formula: C14 H24 Ni O15
• SMILES: [Ni](OC(=O)c1cc(O)cc(O)c1)(OC(=O)c1cc(O)cc(O)c1)([OH2])([OH2])([OH2])[OH2].O.O.O
• Title of publication: Tetraaquabis(3,5-dihydroxybenzoato-κ<i>O</i>)nickel(II) trihydrate
• Authors of publication: Wang, Huan-Yu; Gao, Shan; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 12
• Pages of publication: m2639 - m2640
• a: 9.25 ± 0.002 Å
• b: 19.736 ± 0.004 Å
• c: 10.797 ± 0.002 Å
• α: 90°
• β: 95.24 ± 0.02°
• γ: 90°
• Cell volume: 1962.8 ± 0.7 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.042
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.117
• Weighted residual factors for all reflections included in the refinement: 0.121
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes