Information card for entry 7125593

Structure parameters

• Formula: C72 H121 Cu2 N11 O22 S
• Calculated formula: C72 H121 Cu2 N11 O22 S
• 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: 10.464 ± 0.002 Å
• b: 18.668 ± 0.004 Å
• c: 21.678 ± 0.004 Å
• α: 78.77 ± 0.03°
• β: 85.67 ± 0.03°
• γ: 85.96 ± 0.03°
• Cell volume: 4135 ± 1.5 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0921
• Residual factor for significantly intense reflections: 0.0667
• Weighted residual factors for significantly intense reflections: 0.1689
• Weighted residual factors for all reflections included in the refinement: 0.1944
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No