Information card for entry 7024430

Structure parameters

• Formula: C38 H52 Cu F6 N4 O8
• Calculated formula: C38 H52 Cu F6 N4 O8
• SMILES: c12[O][Cu]3([N](=Cc2cc(cc1C[NH+]1CCCCC1)C(C)(C)C)O)Oc1c(cc(cc1C[NH+]1CCCCC1)C(C)(C)C)C=[N]3O.C(=O)(C(F)(F)F)[O-].C(=O)(C(F)(F)F)[O-]
• 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: 11.5737 ± 0.0009 Å
• b: 14.259 ± 0.0011 Å
• c: 12.8374 ± 0.001 Å
• α: 90°
• β: 108.688 ± 0.003°
• γ: 90°
• Cell volume: 2006.9 ± 0.3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• 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: 0.1161
• Residual factor for significantly intense reflections: 0.0844
• Weighted residual factors for all reflections: 0.17
• Weighted residual factors for significantly intense reflections: 0.1577
• Weighted residual factors for all reflections included in the refinement: 0.17
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1193
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No