Information card for entry 7125590

Structure parameters

• Formula: C64 H100 Cu2 N12 O20
• Calculated formula: C64 H100 Cu2 N12 O20
• Title of publication: A bis-salicylaldoximato-copper(II) receptor for selective sulfate uptake.
• Authors of publication: Wenzel, Marco; Knapp, Quintin W.; Plieger, Paul G.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2011
• Journal volume: 47
• Journal issue: 1
• Pages of publication: 499 - 501
• a: 11.847 ± 0.002 Å
• b: 19.317 ± 0.004 Å
• c: 37.831 ± 0.008 Å
• α: 90°
• β: 93.95 ± 0.03°
• γ: 90°
• Cell volume: 8637 ± 3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• 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: 0.1092
• Residual factor for significantly intense reflections: 0.086
• Weighted residual factors for significantly intense reflections: 0.2575
• Weighted residual factors for all reflections included in the refinement: 0.2767
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No