Information card for entry 7028332

Structure parameters

• Formula: C8 H23 N4 O11 V
• Calculated formula: C8 H23 N4 O11 V
• SMILES: [V]123(=O)(OO1)(OO2)[n]1c(c2cc[nH][n]32)cccc1.O.O.O.O.[NH4+].O.O
• Title of publication: A spectroscopic study on the coordination and solution structures of the interaction systems between biperoxidovanadate complexes and the pyrazolylpyridine-like ligands.
• Authors of publication: Yu, Xian-Yong; Deng, Lin; Zheng, Baishu; Zeng, Bi-Rong; Yi, Pinggui; Xu, Xin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 4
• Pages of publication: 1524 - 1533
• a: 7.5216 ± 0.0017 Å
• b: 26.293 ± 0.006 Å
• c: 9.411 ± 0.002 Å
• α: 90°
• β: 111.488 ± 0.004°
• γ: 90°
• Cell volume: 1731.8 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0735
• Residual factor for significantly intense reflections: 0.0727
• Weighted residual factors for significantly intense reflections: 0.1357
• Weighted residual factors for all reflections included in the refinement: 0.1362
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No