Information card for entry 1517271

Structure parameters

• Formula: C371 H328 B16 Co8 F64 N72 O26
• Calculated formula: C371 H315 B8 Co8 F32 N72 O26
• Title of publication: pH-dependent binding of guests in the cavity of a polyhedral coordination cage: reversible uptake and release of drug molecules
• Authors of publication: Cullen, William; Turega, Simon; Hunter, Christopher A.; Ward, Michael D.
• Journal of publication: Chem. Sci.
• Year of publication: 2015
• Journal volume: 6
• Journal issue: 1
• Pages of publication: 625
• a: 27.3936 ± 0.0007 Å
• b: 39.1227 ± 0.001 Å
• c: 41.964 ± 0.003 Å
• α: 90°
• β: 107.152 ± 0.008°
• γ: 90°
• Cell volume: 42973 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.226
• Residual factor for significantly intense reflections: 0.163
• Weighted residual factors for significantly intense reflections: 0.4367
• Weighted residual factors for all reflections included in the refinement: 0.4692
• Goodness-of-fit parameter for all reflections included in the refinement: 1.437
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No