Information card for entry 7024939

Structure parameters

• Formula: C88 H116 Cl4 Cu2 N8 O20
• Calculated formula: C88 H116 Cl4 Cu2 N8 O20
• Title of publication: Zwitterionic dicopper helicates: anion encapsulation and binding studies.
• Authors of publication: Wenzel, Marco; Bruere, Sam R.; Knapp, Quintin W.; Tasker, Peter A.; Plieger, Paul G.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 11
• Pages of publication: 2936 - 2941
• a: 13.5791 ± 0.0004 Å
• b: 18.1287 ± 0.0005 Å
• c: 22.9291 ± 0.0006 Å
• α: 82.984 ± 0.002°
• β: 72.81 ± 0.001°
• γ: 78.701 ± 0.001°
• Cell volume: 5275.4 ± 0.3 ų
• Cell temperature: 99 ± 2 K
• Ambient diffraction temperature: 99 ± 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: 0.0805
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.1457
• Weighted residual factors for all reflections included in the refinement: 0.1562
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No