Information card for entry 2238629

Structure parameters

• Chemical name: Pyridinium <i>trans</i>-diaquabis[oxalato(2-)-κ^2^<i>O</i>^1^,<i>O</i>^2^]chromate(III) urea monosolvate
• Formula: C10 H14 Cr N3 O11
• Calculated formula: C10 H14 Cr N3 O11
• SMILES: C1(=O)O[Cr]2([OH2])([OH2])(OC1=O)OC(=O)C(=O)O2.c1ccc[nH+]c1.C(=O)(N)N
• Title of publication: Pyridinium <i>trans</i>-diaquabis[oxalato(2{-})-κ^2^<i>O</i>^1^,<i>O</i>^2^]chromate(III) urea monosolvate
• Authors of publication: Bebga, Gouet; Signé, Martin; Nenwa, Justin; Mbarki, Mohammed; Fokwa, Boniface P. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 10
• Pages of publication: m567
• a: 7.6456 ± 0.0007 Å
• b: 21.4096 ± 0.0018 Å
• c: 9.7404 ± 0.0012 Å
• α: 90°
• β: 100.278 ± 0.001°
• γ: 90°
• Cell volume: 1568.8 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0498
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.1031
• Weighted residual factors for all reflections included in the refinement: 0.1108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No