Information card for entry 7024429

Structure parameters

• Formula: C34 H52 B2 Cu F8 N4 O4
• Calculated formula: C34 H52 B2 Cu F8 N4 O4
• SMILES: [B](F)(F)(F)[F-].[Cu]12([N](O)=Cc3c(O1)c(cc(c3)C(C)(C)C)C[NH+]1CCCCC1)Oc1c(cc(cc1C[NH+]1CCCCC1)C(C)(C)C)C=[N]2O.[B](F)(F)(F)[F-]
• Title of publication: Cation and anion selectivity of zwitterionic salicylaldoxime metal salt extractants.
• Authors of publication: Forgan, Ross S.; Davidson, James E.; Fabbiani, Francesca P. A.; Galbraith, Stuart G.; Henderson, David K.; Moggach, Stephen A.; Parsons, Simon; Tasker, Peter A.; White, Fraser J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 7
• Pages of publication: 1763 - 1770
• a: 8.4253 ± 0.0003 Å
• b: 10.7811 ± 0.0004 Å
• c: 11.2498 ± 0.0004 Å
• α: 84.524 ± 0.003°
• β: 77.179 ± 0.002°
• γ: 69.818 ± 0.002°
• Cell volume: 935.01 ± 0.06 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0705
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.1485
• Weighted residual factors for all reflections included in the refinement: 0.156
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No