Information card for entry 7017420

Structure parameters

• Formula: C230 H270 F30 N40 O60 S20 Zn5
• Calculated formula: C169 H160 F27 N30 O37 S19 Zn5
• Title of publication: Diastereoselective assembly of pentanuclear circular helicates.
• Authors of publication: Clegg, Oliver R.; Fennessy, Rebecca V.; Harding, Lindsay P.; Rice, Craig R.; Riis-Johannessen, T; Fletcher, Nicholas C.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 45
• Pages of publication: 12381 - 12387
• a: 20.3776 ± 0.0013 Å
• b: 21.5461 ± 0.0015 Å
• c: 28.7397 ± 0.0019 Å
• α: 79.876 ± 0.002°
• β: 85.013 ± 0.002°
• γ: 77.697 ± 0.002°
• Cell volume: 12120.6 ± 1.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1415
• Residual factor for significantly intense reflections: 0.1032
• Weighted residual factors for significantly intense reflections: 0.2819
• Weighted residual factors for all reflections included in the refinement: 0.3051
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No