Information card for entry 4323490

Structure parameters

• Formula: C14 H8 K6 O32 Zr2
• Calculated formula: C14 K6 O32 Zr2
• SMILES: C1(=O)C(=O)O[Zr]234(O1)(OC(C(=O)O2)=O)(OC(=O)C(=O)O3)[O]=C1C(O4)=[O][Zr]234(OC(=O)C(=O)O2)(OC(=O)C(=O)O3)(OC(=O)C(=O)O4)O1.[K+].[K+].O.O.[K+].[K+].[K+].O.[K+].O
• Title of publication: A Binuclear Zirconium(IV) Oxalate Complex with a μ-Oxalate Coordination Mode. Crystal Structure of K6[{Zr(C2O4)3}2(μ-C2O4)].4H2O
• Authors of publication: Ricardo Baggio; Maria Teresa Garland; Mireille Perec
• Journal of publication: Inorganic Chemistry
• Year of publication: 1997
• Journal volume: 36
• Pages of publication: 3198 - 3200
• a: 9.037 ± 0.001 Å
• b: 13.332 ± 0.002 Å
• c: 13.081 ± 0.003 Å
• α: 90°
• β: 93.38 ± 0.01°
• γ: 90°
• Cell volume: 1573.3 ± 0.5 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: 0.0302
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for all reflections: 0.0732
• Weighted residual factors for significantly intense reflections: 0.0708
• Goodness-of-fit parameter for all reflections: 1.146
• Goodness-of-fit parameter for significantly intense reflections: 1.157
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No