Information card for entry 8102346

Structure parameters

• Formula: C6 H12 N3 O7 V
• Calculated formula: C6 H12 N3 O7 V
• SMILES: [V]123(OO2)(OO3)(=O)[O]=C(N)c2[n]1cccc2.[NH4+].O
• Title of publication: Crystal structure of ammonium (picolinamide)oxo diperoxovanadate(V) monohydrate, NH4[VO(O2)2(C6H6N2O)] · H2O
• Authors of publication: Yanglin Pan; Xianyong Yu; Zhanbing Wei; Shuhui Cai; Zhong Chen
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2008
• Journal volume: 223
• Journal issue: 4
• Pages of publication: 449
• a: 7.323 ± 0.003 Å
• b: 14.255 ± 0.007 Å
• c: 10.022 ± 0.005 Å
• α: 90°
• β: 99.524 ± 0.009°
• γ: 90°
• Cell volume: 1031.8 ± 0.8 ų
• Cell temperature: 223 K
• Ambient diffraction temperature: 296 ± 2 K
• Cell measurement pressure: 101.325 kPa
• Number of distinct elements: 5
• 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: 0.102
• Residual factor for significantly intense reflections: 0.0671
• Weighted residual factors for significantly intense reflections: 0.1469
• Weighted residual factors for all reflections included in the refinement: 0.1718
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No