Information card for entry 4131823

Structure parameters

• Formula: C342 H334 Cl16 Co8 N72 O29
• Calculated formula: C342 H288 Cl13.9998 Co8 N72 O28.9994
• Title of publication: Catalysis in a Cationic Coordination Cage Using a Cavity-Bound Guest and Surface-Bound Anions: Inhibition, Activation, and Autocatalysis.
• Authors of publication: Cullen, William; Metherell, Alexander J.; Wragg, Ashley B.; Taylor, Christopher G. P.; Williams, Nicholas H.; Ward, Michael D.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 8
• Pages of publication: 2821 - 2828
• a: 33.0793 ± 0.0005 Å
• b: 33.0793 ± 0.0005 Å
• c: 34.2247 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 32432.7 ± 1 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: 0.159
• Residual factor for significantly intense reflections: 0.1299
• Weighted residual factors for significantly intense reflections: 0.3901
• Weighted residual factors for all reflections included in the refinement: 0.4097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.622
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No