Information card for entry 4340454

Structure parameters

• Chemical name: aqua-bis(5-cianopyridine-2-carboxylato-N,O)-oxidovanadium(IV) dihydrate
• Formula: C14 H12 N4 O8 V
• Calculated formula: C14 H12 N4 O8 V
• SMILES: [V]12([n]3c(C(=O)O1)ccc(c3)C#N)([n]1c(C(=O)O2)ccc(c1)C#N)(=O)[OH2].O.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: 7.3496 ± 0.0005 Å
• b: 7.8254 ± 0.0006 Å
• c: 15.4376 ± 0.0011 Å
• α: 83.869 ± 0.006°
• β: 83.169 ± 0.006°
• γ: 72.136 ± 0.007°
• Cell volume: 836.74 ± 0.11 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0501
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.0947
• Weighted residual factors for all reflections included in the refinement: 0.1
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No