Information card for entry 2238532

Structure parameters

• Chemical name: 2-Amino-6-methylpyridinium <i>trans</i>-diaquadioxalatochromate(III) monohydrate
• Formula: C10 H15 Cr N2 O11
• Calculated formula: C10 H15 Cr N2 O11
• SMILES: [Cr]12([OH2])([OH2])(OC(=O)C(=O)O1)OC(=O)C(=O)O2.O.[nH+]1c(cccc1N)C
• Title of publication: 2-Amino-6-methylpyridinium <i>trans</i>-diaquadioxalatochromate(III) monohydrate
• Authors of publication: Dridi, Rihab; Namouchi Cherni, Saoussen; Zid, Mohamed Faouzi; Driss, Ahmed
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 9
• Pages of publication: m489 - m490
• a: 18.572 ± 0.003 Å
• b: 11.025 ± 0.002 Å
• c: 14.975 ± 0.003 Å
• α: 90°
• β: 96.28 ± 0.02°
• γ: 90°
• Cell volume: 3047.8 ± 1 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: 0.0468
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.1071
• Weighted residual factors for all reflections included in the refinement: 0.1122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes