Information card for entry 2017687

Structure parameters

• Chemical name: Tricaesium tris(oxalato-κ^2^O^1^,O^2^)chromate(III) dihydrate
• Formula: C6 H4 Cr Cs3 O14
• Calculated formula: C6 H4 Cr Cs3 O14
• SMILES: O=C1C(=O)O[Cr]23(OC(=O)C(=O)O2)(O1)OC(=O)C(=O)O3.[Cs+].[Cs+].[Cs+].O.O
• Title of publication: Tricaesium tris(oxalato-κ^2^<i>O</i>^1^,<i>O</i>^2^)chromate(III) dihydrate
• Authors of publication: Martin, Lee; Christian, Anthony; Akutsu, Hiroki
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 6
• Pages of publication: m157 - m159
• a: 8.2299 ± 0.0005 Å
• b: 10.2956 ± 0.0006 Å
• c: 10.9902 ± 0.0005 Å
• α: 63.662 ± 0.005°
• β: 89.775 ± 0.004°
• γ: 77.221 ± 0.005°
• Cell volume: 809.14 ± 0.09 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0275
• Residual factor for significantly intense reflections: 0.0247
• Weighted residual factors for all reflections: 0.0589
• Weighted residual factors for significantly intense reflections: 0.058
• Weighted residual factors for all reflections included in the refinement: 0.0589
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9844
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes