Information card for entry 2241265

Structure parameters

• Chemical name: Tris[4-(dimethylamino)pyridinium] tris(oxalato-κ^2^<i>O</i>,<i>O</i>')chromate(III) tetrahydrate
• Formula: C27 H41 Cr N6 O16
• Calculated formula: C27 H41 Cr N6 O16
• SMILES: C1(=O)C(=O)O[Cr]23(O1)(OC(=O)C(=O)O3)OC(=O)C(=O)O2.c1cc(cc[nH+]1)N(C)C.[nH+]1ccc(N(C)C)cc1.O.O.c1cc(cc[nH+]1)N(C)C.O.O
• Title of publication: Crystal structure of tris[4-(dimethylamino)pyridinium] tris(oxalato-κ^2^<i>O</i>,<i>O</i>')chromate(III) tetrahydrate
• Authors of publication: Makon ma Houga, Noé; Capet, Frédéric; Nenwa, Justin; Bebga, Gouet; Foulon, Michel
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 11
• Pages of publication: 1408 - 1410
• a: 19.1141 ± 0.0005 Å
• b: 16.7537 ± 0.0004 Å
• c: 11.0053 ± 0.0002 Å
• α: 90°
• β: 98.803 ± 0.001°
• γ: 90°
• Cell volume: 3482.73 ± 0.14 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 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: 0.0605
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.1039
• Weighted residual factors for all reflections included in the refinement: 0.12
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes