Information card for entry 7027827

Structure parameters

• Common name: [{VO(sal-1,2pr)}2][I3]
• Formula: C34 H32 I3 N4 O6 V2
• Calculated formula: C34 H32 I3 N4 O6 V2
• SMILES: I[I-]I.[V]123([O]=[V]456Oc7c(C=[N]5C[C@@H]([N]6=Cc5c(O4)cccc5)C)cccc7)(Oc4c(C=[N]2[C@H](C[N]3=Cc2c(O1)cccc2)C)cccc4)=O.I[I-]I.[V]123([O]=[V]456Oc7c(C=[N]5C[C@H]([N]6=Cc5c(O4)cccc5)C)cccc7)(Oc4c(C=[N]2[C@@H](C[N]3=Cc2c(O1)cccc2)C)cccc4)=O
• Title of publication: New compounds of tetradentate Schiff bases with vanadium(IV) and vanadium(V) †
• Authors of publication: Choudhary, Nosheen F.; Connelly, Neil G.; Hitchcock, Peter B.; Leigh, G. Jeffery
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 24
• Pages of publication: 4437
• a: 13.712 ± 0.005 Å
• b: 13.666 ± 0.003 Å
• c: 21.31 ± 0.008 Å
• α: 90°
• β: 108.11 ± 0.03°
• γ: 90°
• Cell volume: 3795 ± 2 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: 0.3071
• Residual factor for significantly intense reflections: 0.1223
• Weighted residual factors for all reflections: 0.3358
• Weighted residual factors for significantly intense reflections: 0.2342
• Goodness-of-fit parameter for all reflections: 1.056
• Goodness-of-fit parameter for significantly intense reflections: 1.314
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No