Information card for entry 7036150

Structure parameters

• Formula: C59.33 H90.67 Br2 Cu2 N8 O11 S1.17
• Calculated formula: C59.3334 H90.6668 Br2 Cu2 N8 O11 S1.1667
• 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: 15.4887 ± 0.0003 Å
• b: 28.5296 ± 0.0005 Å
• c: 17.2548 ± 0.0012 Å
• α: 90°
• β: 97.39 ± 0.007°
• γ: 90°
• Cell volume: 7561.3 ± 0.6 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1012
• Residual factor for significantly intense reflections: 0.078
• Weighted residual factors for significantly intense reflections: 0.2117
• Weighted residual factors for all reflections included in the refinement: 0.2424
• Goodness-of-fit parameter for all reflections included in the refinement: 0.955
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No