Information card for entry 8106277

Structure parameters

• Formula: C4 H7 N4 O5 V
• Calculated formula: C4 H7 N4 O5 V
• SMILES: C1(=O)c2cc[nH][n]2[V]23([NH2]O2)([NH2]O3)(O1)=O
• Title of publication: Crystal structure of bis(hydroxylamido-κ2 O,N)-oxido(1H-pyrazole-3-carboxylato-κ2 O,N)vanadium(V), C4H7N4O5V
• Authors of publication: Zhang, Heng-Qiang; Wu, Qiong; Zhang, Qi-Ying; Yang, Xue; Chen, Hong-Li
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2018
• Journal volume: 233
• Journal issue: 4
• Pages of publication: 731 - 732
• a: 9.6179 ± 0.0008 Å
• b: 8.3133 ± 0.0007 Å
• c: 10.8235 ± 0.0009 Å
• α: 90°
• β: 102.253 ± 0.002°
• γ: 90°
• Cell volume: 845.7 ± 0.12 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• 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: 0.0283
• Residual factor for significantly intense reflections: 0.0242
• Weighted residual factors for significantly intense reflections: 0.0687
• Weighted residual factors for all reflections included in the refinement: 0.0718
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No