Information card for entry 2210622

Structure parameters

• Chemical name: poly[octaaquatetra-μ-oxalato-calciumdipotassiumzirconium(IV)]
• Formula: C8 H16 Ca K2 O24 Zr
• Calculated formula: C8 H16 Ca K2 O24 Zr
• SMILES: [K+].[Ca+2].O1[Zr]234(OC(=O)C(O2)=O)(OC(=O)C(=O)O3)(OC(=O)C(=O)O4)OC(=O)C1=O.[K+].O.O.O.O.O.O.O.O
• Title of publication: Calcium dipotassium tetraoxalatozirconate(IV) octahydrate
• Authors of publication: Yang, Jun-Ying; Fu, Yun-Long; Ren, Jia-Lin; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 10
• Pages of publication: m2424 - m2426
• a: 11.342 ± 0.001 Å
• b: 11.342 Å
• c: 8.92 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1147.48 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 82
• Hermann-Mauguin space group symbol: I -4
• Hall space group symbol: I -4
• Residual factor for all reflections: 0.042
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.078
• Weighted residual factors for all reflections included in the refinement: 0.081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes