Information card for entry 2241732

Structure parameters

• Chemical name: Bis[4-(dimethylamino)pyridinium] aquabis(oxalato)oxidovanadate(IV) dihydrate
• Formula: C18 H28 N4 O12 V
• Calculated formula: C18 H28 N4 O12 V
• SMILES: CN(C)c1cc[nH+]cc1.O1[V]2([OH2])(OC(=O)C1=O)(OC(=O)C(=O)O2)=O.O.CN(C)c1cc[nH+]cc1.O
• Title of publication: Crystal structure of bis[4-(dimethylamino)pyridinium] aquabis(oxalato)oxidovanadate(IV) dihydrate
• Authors of publication: Sehimi, Hiba; Chérif, Ichraf; Zid, Mohamed Faouzi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 7
• Pages of publication: 1002 - 1005
• a: 14.682 ± 0.002 Å
• b: 7.689 ± 0.004 Å
• c: 21.28 ± 0.003 Å
• α: 90°
• β: 97.197 ± 0.01°
• γ: 90°
• Cell volume: 2383.4 ± 1.3 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: 0.0683
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.094
• Weighted residual factors for all reflections included in the refinement: 0.1064
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes