Information card for entry 7036149

Structure parameters

• Formula: C62 H92 B Cu2 F4 N10 O10
• Calculated formula: C62 H92 B Cu2 F4 N10 O10
• Title of publication: Piperazine linked salicylaldoxime and salicylaldimine-based dicopper(ii) receptors for anions.
• Authors of publication: De Silva, D Nirosha T; Jameson, Geoffrey B.; Pannu, Ajay Pal Singh; Pouhet, Raphëlle; Wenzel, Marco; Plieger, Paul G.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 36
• Pages of publication: 15949 - 15959
• a: 16.0641 ± 0.0004 Å
• b: 21.0442 ± 0.0005 Å
• c: 22.9542 ± 0.0016 Å
• α: 90°
• β: 107.834 ± 0.008°
• γ: 90°
• Cell volume: 7386.9 ± 0.7 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.1255
• Residual factor for significantly intense reflections: 0.0866
• Weighted residual factors for significantly intense reflections: 0.2517
• Weighted residual factors for all reflections included in the refinement: 0.2806
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No