Information card for entry 7024940

Structure parameters

• Formula: C360 H464 B9.17 Cu8 F36.67 I6.83 N32 O21
• Calculated formula: C360 H464 B9.17 Cu8 F36.68 I6.83 N32 O21
• 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: 26.986 ± 0.005 Å
• b: 24.26 ± 0.005 Å
• c: 29.252 ± 0.006 Å
• α: 90°
• β: 95.28 ± 0.03°
• γ: 90°
• Cell volume: 19069 ± 7 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 8
• 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: 0.319
• Residual factor for significantly intense reflections: 0.1169
• Weighted residual factors for significantly intense reflections: 0.2835
• Weighted residual factors for all reflections included in the refinement: 0.3937
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No