Information card for entry 2213739

Structure parameters

• Chemical name: Piperazinium aquabis(oxalato)oxidovanadate(IV) dihydrate
• Formula: C8 H18 N2 O12 V
• Calculated formula: C8 H18 N2 O12 V
• SMILES: [V]12(OC(=O)C(=O)O1)(OC(=O)C(=O)O2)(=O)[OH2].[NH2+]1CC[NH2+]CC1.O.O
• Title of publication: Piperazinium aquabis(oxalato)oxidovanadate(IV) dihydrate
• Authors of publication: Aghabozorg, Hossein; Motyeian, Elham; Aghajani, Zahra; Ghadermazi, Mohammad; Attar Gharamaleki, Jafar
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 6
• Pages of publication: m1754 - m1755
• a: 10.0302 ± 0.0006 Å
• b: 12.4995 ± 0.0008 Å
• c: 12.4665 ± 0.0008 Å
• α: 90°
• β: 111.32 ± 0.001°
• γ: 90°
• Cell volume: 1455.99 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0563
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0927
• Weighted residual factors for all reflections included in the refinement: 0.1029
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes