Information card for entry 4317529

Structure parameters

• Common name: [VO(3-MeOsalen)/H3N(CH2)2NH2]Cl
• Chemical name: [N,N'-bis(3-methoxysalicylidene)ethane-1,2-diaminato]oxovanadium(IV)/ ethane-1-amine-2-ammonium chloride (1/1)
• Formula: C20 H27 Cl N4 O5 V
• Calculated formula: C20 H27 Cl N4 O5 V
• SMILES: [V]123(Oc4c(OC)cccc4C=[N]3CC[N]2=Cc2cccc(OC)c2O1)=O.[NH3+]CCN.[Cl-]
• 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: 8.4499 ± 0.0012 Å
• b: 11.939 ± 0.002 Å
• c: 12.0129 ± 0.0019 Å
• α: 76.029 ± 0.014°
• β: 80.759 ± 0.012°
• γ: 71.224 ± 0.014°
• Cell volume: 1108.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1068
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.1173
• Weighted residual factors for all reflections included in the refinement: 0.1319
• Goodness-of-fit parameter for all reflections included in the refinement: 0.981
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No