Information card for entry 2006737

Structure parameters

• Chemical name: Calcium Potassium Tris(oxalato)chromate(III) Pentahydrate
• Formula: C6 H10 Ca Cr K O17
• Calculated formula: C6 H10 Ca Cr K O17
• SMILES: [Cr]123(OC(=O)C(=O)O1)(OC(=O)C(=O)O2)OC(=O)C(=O)O3.[Ca+2].[K+].O.O.O.O.O
• Title of publication: Calcium Potassium Tris(oxalato-<i>O</i>^1^,<i>O</i>^2^)chromate(III) Pentahydrate
• Authors of publication: Masters, Vanessa; Gahan, Lawrence R.; Kennard, Colin H. L.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 11
• Pages of publication: 1576 - 1577
• a: 10.923 ± 0.004 Å
• b: 11.114 ± 0.001 Å
• c: 13.548 ± 0.004 Å
• α: 90°
• β: 99.52 ± 0.01°
• γ: 90°
• Cell volume: 1622.1 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.038
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for all reflections: 0.091
• Weighted residual factors for significantly intense reflections: 0.087
• Goodness-of-fit parameter for all reflections: 1.072
• Goodness-of-fit parameter for significantly intense reflections: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No