Information card for entry 2238519

Structure parameters

• Chemical name: Dipotassium tetraaquabis(μ-citrato-κ^4^<i>O</i>:<i>O</i>',<i>O</i>'',<i>O</i>''')nickelate(II) tetrahydrate
• Formula: C12 H26 K2 Ni2 O22
• Calculated formula: C12 H26 K2 Ni2 O22
• SMILES: C1C(=O)O[Ni]23([OH]C(CC(=O)O2)(C(=O)O3)CC(=O)O[Ni]23(OC(=O)CC1(C(=O)O3)[OH]2)([OH2])[OH2])([OH2])[OH2].[K+].O.O.[K+].O.O
• Title of publication: Dipotassium tetraaquabis(μ-citrato-κ^4^<i>O</i>:<i>O</i>',<i>O</i>'',<i>O</i>''')nickelate(II) tetrahydrate
• Authors of publication: Yao, Hua-Gang; Huang, Jia-Na; Deng, Run-Kang; Yao, Zhi-Bang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 9
• Pages of publication: m502 - m503
• a: 10.616 ± 0.002 Å
• b: 13.006 ± 0.003 Å
• c: 9.0513 ± 0.0018 Å
• α: 90°
• β: 93.09 ± 0.03°
• γ: 90°
• Cell volume: 1247.9 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0245
• Residual factor for significantly intense reflections: 0.0226
• Weighted residual factors for significantly intense reflections: 0.0614
• Weighted residual factors for all reflections included in the refinement: 0.0626
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes