Information card for entry 7017225

Structure parameters

• Formula: C68 H92 Cl4 Cu2 N8 O24
• Calculated formula: C68 H92 Cl4 Cu2 N8 O24
• 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: 14.7464 ± 0.0008 Å
• b: 15.6825 ± 0.0008 Å
• c: 21.3265 ± 0.0015 Å
• α: 95.308 ± 0.007°
• β: 109.898 ± 0.008°
• γ: 104.436 ± 0.007°
• Cell volume: 4405.1 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.223
• Residual factor for significantly intense reflections: 0.0828
• Weighted residual factors for significantly intense reflections: 0.1952
• Weighted residual factors for all reflections included in the refinement: 0.2413
• Goodness-of-fit parameter for all reflections included in the refinement: 0.813
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: Copper
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No