Information card for entry 2235128

Structure parameters

• Chemical name: 2-Amino-5-chloropyridinium <i>cis</i>-diaquadioxalatochromate(III) sesquihydrate
• Formula: C9 H13 Cl Cr N2 O11.5
• Calculated formula: C9 H13 Cl Cr N2 O11.5
• SMILES: [Cr]12(OC(=O)C(=O)O1)(OC(=O)C(=O)O2)([OH2])[OH2].O.O.c1c(ccc(N)[nH+]1)Cl
• Title of publication: 2-Amino-5-chloropyridinium <i>cis</i>-diaquadioxalatochromate(III) sesquihydrate
• Authors of publication: Chérif, Ichraf; Abdelhak, Jawher; Zid, Mohamed Faouzi; Driss, Ahmed
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 6
• Pages of publication: m824 - m825
• a: 11.376 ± 0.002 Å
• b: 53.041 ± 0.003 Å
• c: 10.413 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6283.1 ± 1.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0342
• Residual factor for significantly intense reflections: 0.0286
• Weighted residual factors for significantly intense reflections: 0.0712
• Weighted residual factors for all reflections included in the refinement: 0.0736
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes