Information card for entry 7018703

Structure parameters

• Formula: C9 H11 N4 O7 V
• Calculated formula: C9 H11 N4 O7 V
• SMILES: c12[n](cncc1)[V]13(OO1)([n]1c2cccc1)(OO3)=O.[NH4+].O.O
• Title of publication: Study of the coordination and solution structures for the interaction systems between diperoxidovanadate complexes and 4-(pyridin-2-yl)pyrimidine-like ligands.
• Authors of publication: Yu, Xian-Yong; Yi, Ping-Gui; Ji, Dan-Hong; Zeng, Bi-Rong; Li, Xiao-Fang; Xu, Xin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 13
• Pages of publication: 3684 - 3694
• a: 12.9276 ± 0.0014 Å
• b: 6.9044 ± 0.0006 Å
• c: 15.8482 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1414.6 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.057
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.0999
• Weighted residual factors for all reflections included in the refinement: 0.1037
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No