Information card for entry 2011812

Structure parameters

• Formula: C28 H18 F6 N2 O5 V
• Calculated formula: C28 H18 F6 N2 O5 V
• SMILES: [V]12(=O)(Oc3ccccc3C=[N]1c1ccc(OC(F)(F)F)cc1)Oc1ccccc1C=[N]2c1ccc(OC(F)(F)F)cc1
• Title of publication: Fluoro derivatives of bis(salicylideneaminato-<i>N</i>,<i>O</i>)copper(II) and -oxovanadium(IV)
• Authors of publication: Burgess, John; Fawcett, John; Palma, Vitor; Gilani, Syeda R.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 3
• Pages of publication: 277 - 280
• a: 27.392 ± 0.003 Å
• b: 10.048 ± 0.002 Å
• c: 9.654 ± 0.001 Å
• α: 90°
• β: 94.84 ± 0.01°
• γ: 90°
• Cell volume: 2647.6 ± 0.7 ų
• Cell temperature: 190 ± 2 K
• Ambient diffraction temperature: 190 ± 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: 0.061
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for all reflections included in the refinement: 0.108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes