Information card for entry 2011223

Structure parameters

• Chemical name: Triaqua(oxalato-O,O')oxovanadium(IV) dihydrate
• Formula: C2 H10 O10 V
• Calculated formula: C2 H10 O10 V
• SMILES: [V]1([OH2])([OH2])([OH2])(=O)OC(=O)C(=O)O1.O.O
• Title of publication: Triaqua(oxalato-<i>O</i>,<i>O</i>')oxovanadium(IV) dihydrate
• Authors of publication: Belaj, Ferdinand; Basch, Angelika; Udo Muster
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 8
• Pages of publication: 921 - 922
• a: 7.152 ± 0.002 Å
• b: 8.806 ± 0.003 Å
• c: 14.004 ± 0.004 Å
• α: 90°
• β: 95.6 ± 0.02°
• γ: 90°
• Cell volume: 877.8 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.036
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for all reflections included in the refinement: 0.081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes