Information card for entry 4340458

Structure parameters

• Chemical name: Δ-aqua-bis(pyrazine-2-carboxylato-N,O)-oxidovanadium(IV)
• Formula: C10 H8 N4 O6 V
• Calculated formula: C10 H8 N4 O6 V
• SMILES: [V]12([n]3c(C(=O)O1)cncc3)([n]1c(C(=O)O2)cncc1)(=O)[OH2]
• 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: 5.966 ± 0.0001 Å
• b: 13.0237 ± 0.0002 Å
• c: 8.5124 ± 0.0001 Å
• α: 90°
• β: 105.377 ± 0.002°
• γ: 90°
• Cell volume: 637.731 ± 0.017 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0295
• Residual factor for significantly intense reflections: 0.0294
• Weighted residual factors for significantly intense reflections: 0.0768
• Weighted residual factors for all reflections included in the refinement: 0.0769
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No