Information card for entry 7032599

Structure parameters

• Chemical name: N,N'-bis-5-chloro-2-hydroxybenzylidene-1,2-propylenediaminato-oxovanadium(IV)
• Formula: C17 H14 Cl2 N2 O3 V
• Calculated formula: C17 H14 Cl2 N2 O3 V
• SMILES: [V]123(Oc4ccc(Cl)cc4C=[N]1C(C[N]2=Cc1cc(Cl)ccc1O3)C)=O
• Title of publication: Assemblies of salen-type oxidovanadium(iv) complexes: substituent effects and in vitro protein tyrosine phosphatase inhibition.
• Authors of publication: Zabierowski, Piotr; Szklarzewicz, Janusz; Gryboś, Ryszard; Modryl, Barbara; Nitek, Wojciech
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 45
• Pages of publication: 17044 - 17053
• a: 13.776 ± 0.005 Å
• b: 9.987 ± 0.005 Å
• c: 13.703 ± 0.005 Å
• α: 90 ± 0.005°
• β: 113.198 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 1732.8 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.081
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.121
• Weighted residual factors for all reflections included in the refinement: 0.141
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No