Information card for entry 4312495

Structure parameters

• Common name: VO(H~2~O)(C~19~H~20~N~2~O~5~)^.^2dichloroethane
• Formula: C23 H30 Cl4 N2 O7 V
• Calculated formula: C23 H30 Cl4 N2 O7 V
• SMILES: [V]123(=O)(Oc4c(OC)cccc4C=[N]2CC(O)C[N]3=Cc2cccc(OC)c2O1)[OH2].ClCCCl.ClCCCl
• Title of publication: Vanadium(IV) and Vanadium(V) Complexes of Salicyladimine Ligands
• Authors of publication: Kathryn I. Smith; Londa L. Borer; Marilyn M. Olmstead
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 7410 - 7415
• a: 10.6789 ± 0.001 Å
• b: 11.7717 ± 0.0008 Å
• c: 12.6972 ± 0.0012 Å
• α: 66.003 ± 0.006°
• β: 74.842 ± 0.007°
• γ: 88.338 ± 0.007°
• Cell volume: 1402 ± 0.2 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 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: 0.0465
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.0948
• Weighted residual factors for all reflections included in the refinement: 0.1003
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No