Information card for entry 7107446

Structure parameters

• Formula: C342 H277 Cl16 Co8 N75 O66
• Calculated formula: C342 H273 Cl14.04 Co8 N75 O58.16
• Title of publication: Selective guest recognition by a self-assembled paramagnetic cage complex
• Authors of publication: Simon Turega; Martina Whitehead; Benjamin R. Hall; Mairi F. Haddow; Christopher A. Hunter; Michael D. Ward
• Journal of publication: Chem. Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 2752
• a: 28.8897 ± 0.0014 Å
• b: 28.8897 ± 0.0014 Å
• c: 53.152 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 38418 ± 5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.1124
• Residual factor for significantly intense reflections: 0.1003
• Weighted residual factors for significantly intense reflections: 0.2655
• Weighted residual factors for all reflections included in the refinement: 0.2842
• Goodness-of-fit parameter for all reflections included in the refinement: 1.134
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No