Information card for entry 2238866

Structure parameters

• Chemical name: Imidazolium <i>trans</i>-diaquadioxalatochromate(III) dihydrate
• Formula: C7 H13 Cr N2 O12
• Calculated formula: C7 H13 Cr N2 O12
• SMILES: c1c[nH+]c[nH]1.[Cr]12([OH2])(OC(=O)C(=O)O1)([OH2])OC(=O)C(=O)O2.O.O
• Title of publication: Imidazolium <i>trans</i>-diaquadioxalatochromate(III) dihydrate
• Authors of publication: Chérif, Ichraf; Abdelhak, Jawher; Zid, Mohamed Faouzi; Driss, Ahmed
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 12
• Pages of publication: m667 - m668
• a: 10.836 ± 0.001 Å
• b: 7.5409 ± 0.0007 Å
• c: 16.349 ± 0.003 Å
• α: 90°
• β: 93.52 ± 0.01°
• γ: 90°
• Cell volume: 1333.4 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0311
• Residual factor for significantly intense reflections: 0.0294
• Weighted residual factors for significantly intense reflections: 0.0845
• Weighted residual factors for all reflections included in the refinement: 0.0857
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No