Information card for entry 2232984

Structure parameters

• Chemical name: 4-Aminopyridinium <i>trans</i>-diaquadioxalatochromate(III) monohydrate
• Formula: C9 H13 Cr N2 O11
• Calculated formula: C9 H13 Cr N2 O11
• SMILES: [Cr]12(OC(=O)C(=O)O1)(OC(=O)C(=O)O2)([OH2])[OH2].c1[nH+]ccc(N)c1.O
• Title of publication: 4-Aminopyridinium <i>trans</i>-diaquadioxalatochromate(III) monohydrate
• Authors of publication: Chérif, Ichraf; Abdelhak, Jawher; Zid, Mohamed Faouzi; Driss, Ahmed
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: m1648 - m1649
• a: 21.102 ± 0.004 Å
• b: 9.487 ± 0.003 Å
• c: 7.226 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1446.6 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0312
• Residual factor for significantly intense reflections: 0.0253
• Weighted residual factors for significantly intense reflections: 0.063
• Weighted residual factors for all reflections included in the refinement: 0.0659
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes