Information card for entry 7032598

Structure parameters

• Common name: Compound X
• Chemical name: N,N'-bis-5-bromo-2-hydroxybenzylidene-1,2-propylenediaminato-oxovanadium(IV)
• Formula: C17 H14 Br2 N2 O3 V
• Calculated formula: C17 H14 Br2 N2 O3 V
• SMILES: [V]123(Oc4ccc(Br)cc4C=[N]1C(C[N]2=Cc1cc(Br)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: 13.575 ± 0.0004 Å
• b: 9.84 ± 0.0004 Å
• c: 14.004 ± 0.0005 Å
• α: 90°
• β: 109.784 ± 0.002°
• γ: 90°
• Cell volume: 1760.21 ± 0.11 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: 0.0486
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0855
• Weighted residual factors for all reflections included in the refinement: 0.0942
• Goodness-of-fit parameter for significantly intense reflections: 6.164
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No