Information card for entry 4317532

Structure parameters

• Common name: SnPh2Cl2.VO(vanen).H2O
• Chemical name: Diphenyltin dichloride.[N,N'-bis(3-methoxysalicylidene)ethane-1,2-diaminato]monoaq ua oxovanadium(IV) (1/1)
• Formula: C30 H28 Cl2 N2 O6 Sn V
• Calculated formula: C30 H28 Cl2 N2 O6 Sn V
• SMILES: [Sn](Cl)(Cl)(O[V]123(Oc4c(C=[N]2CC[N]3=Cc2c(O1)c(OC)ccc2)cccc4OC)[OH2])(c1ccccc1)c1ccccc1
• 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: 13.986 ± 0.002 Å
• b: 21.584 ± 0.002 Å
• c: 12.11 ± 0.002 Å
• α: 90°
• β: 109.8 ± 0.0002°
• γ: 90°
• Cell volume: 3439.6 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.0702
• Residual factor for significantly intense reflections: 0.064
• Weighted residual factors for significantly intense reflections: 0.2221
• Weighted residual factors for all reflections included in the refinement: 0.2291
• Goodness-of-fit parameter for all reflections included in the refinement: 1.159
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No