Information card for entry 4340456

Structure parameters

• Chemical name: sodium-bis(3-hydroxypyridine-2-carboxylato-N,O)- (3-hydroxypyridine-2-carboxylato-O)-oxidovanadate(IV) hydrate
• Formula: C18 H14 N3 Na O11 V
• Calculated formula: C18 H14 N3 Na O11 V
• SMILES: [V]12([n]3c(C(=O)O1)c(O)ccc3)([n]1c(C(=O)O2)c(O)ccc1)(=O)OC(=O)c1ncccc1O.[Na+].O
• Title of publication: Synthesis and Characterization of V(IV)O Complexes of Picolinate and Pyrazine Derivatives. Behavior in the Solid State and Aqueous Solution and Biotransformation in the Presence of Blood Plasma Proteins.
• Authors of publication: Koleša-Dobravc, Tanja; Lodyga-Chruscinska, Elzbieta; Symonowicz, Marzena; Sanna, Daniele; Meden, Anton; Perdih, Franc; Garribba, Eugenio
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 15
• Pages of publication: 7960
• a: 7.9857 ± 0.0004 Å
• b: 11.6552 ± 0.0005 Å
• c: 12.4147 ± 0.0006 Å
• α: 107.575 ± 0.004°
• β: 103.785 ± 0.004°
• γ: 99.25 ± 0.004°
• Cell volume: 1035.49 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0838
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.1187
• Weighted residual factors for all reflections included in the refinement: 0.133
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No