Information card for entry 2015148

Structure parameters

• Chemical name: Poly[di-μ~2~-aqua-di-μ~5~-croconato(2-)-nickel(II)dipotassium(I)] tetrahydrate]
• Formula: C10 H12 K2 Ni O16
• Calculated formula: C10 H12 K2 Ni O16
• SMILES: C1(=O)C(=O)C2=C(C1=O)O[Ni]1(O2)(OC2=C(C(=O)C(=O)C2=O)O1)([OH2])[OH2].[K+].O.O.[K+].O.O
• Title of publication: Poly[[di-μ~2~-aqua-di-μ~5~-croconato(2‒)-nickel(II)dipotassium(I)] tetrahydrate]
• Authors of publication: Chen, Hong-Yu; Fang, Qi; Xue, Gang; Yu, Wen-Tao
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 12
• Pages of publication: m535 - m537
• a: 8.0145 ± 0.0014 Å
• b: 6.66 ± 0.001 Å
• c: 16.489 ± 0.004 Å
• α: 90°
• β: 90.2 ± 0.018°
• γ: 90°
• Cell volume: 880.1 ± 0.3 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0514
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0779
• Weighted residual factors for all reflections included in the refinement: 0.083
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No