Information card for entry 4317530

Structure parameters

• Common name: VO(3-MeOsalen).H2O
• Chemical name: [N,N'-bis(3-methoxysalicylidene)ethane-1,2-diaminato]monoaqua oxovanadium(IV)
• Formula: C19 H20 Cl2 N2 O6 V
• Calculated formula: C19 H20 Cl2 N2 O6 V
• SMILES: [V]123([N](=Cc4c(O2)c(OC)ccc4)CC[N]1=Cc1cccc(OC)c1O3)(=O)=O.ClCCl
• Title of publication: Donor Properties of the Vanadyl Ion: Reactions of Vanadyl Salicylaldimine β-Ketimine and Acetylacetonato Complexes with Groups 14 and 15 Lewis Acids
• Authors of publication: B. Cashin; D. Cunningham; P. Daly; P. McArdle; M. Munroe; N. Ní Chonchubhair
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 773 - 782
• a: 13.8025 ± 0.0018 Å
• b: 10.505 ± 0.0015 Å
• c: 15.21 ± 0.002 Å
• α: 90 ± 0.012°
• β: 97.246 ± 0.011°
• γ: 90 ± 0.011°
• Cell volume: 2187.8 ± 0.5 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1255
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1208
• Weighted residual factors for all reflections included in the refinement: 0.14
• Goodness-of-fit parameter for all reflections included in the refinement: 0.929
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No