Information card for entry 7018702

Structure parameters

• Formula: C9 H18 N5 O8 V
• Calculated formula: C9 H18 N5 O8 V
• SMILES: [V]123(=O)(OO1)(OO2)[n]1c(cccc1)c1[n]3c(N)ncc1.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: 7.2721 ± 0.0016 Å
• b: 16.236 ± 0.004 Å
• c: 12.963 ± 0.003 Å
• α: 90°
• β: 98.622 ± 0.004°
• γ: 90°
• Cell volume: 1513.2 ± 0.6 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0972
• Residual factor for significantly intense reflections: 0.0916
• Weighted residual factors for significantly intense reflections: 0.2173
• Weighted residual factors for all reflections included in the refinement: 0.2211
• Goodness-of-fit parameter for all reflections included in the refinement: 1.289
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No