Information card for entry 7017226

Structure parameters

• Formula: C48 H62 N4 O4
• Calculated formula: C48 H62 N4 O4
• Title of publication: Anion-driven conformation control and enhanced sulfate binding utilising aryl linked salicylaldoxime dicopper helicates.
• Authors of publication: Stevens, James R.; Plieger, Paul G.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 45
• Pages of publication: 12235 - 12241
• a: 10.8782 ± 0.0002 Å
• b: 8.8537 ± 0.0002 Å
• c: 22.8729 ± 0.0016 Å
• α: 90°
• β: 92.114 ± 0.007°
• γ: 90°
• Cell volume: 2201.44 ± 0.17 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.091
• Residual factor for significantly intense reflections: 0.0611
• Weighted residual factors for significantly intense reflections: 0.1771
• Weighted residual factors for all reflections included in the refinement: 0.2127
• Goodness-of-fit parameter for all reflections included in the refinement: 1.144
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No