Information card for entry 7024431

Structure parameters

• Formula: C35.75 H53.75 Br4 Cu2 N5.75 O4
• Calculated formula: C34 H52 Br4 Cu2 N4 O4
• 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: 16.8492 ± 0.0005 Å
• b: 24.7009 ± 0.0008 Å
• c: 10.5521 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4391.7 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0517
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0849
• Weighted residual factors for all reflections included in the refinement: 0.0895
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No