Information card for entry 7711279

Structure parameters

• Formula: C371 H390 B16 Co8 F64 N73 O31
• Calculated formula: C343 H278 B15.7 Co8 F62.8 N73 O3
• Title of publication: Disentangling contributions to guest binding inside a coordination cage host: analysis of a set of isomeric guests with differing polarities
• Authors of publication: Mozaceanu, Cristina; Solea, Atena B.; Taylor, Christopher; Sudittapong, Burin; Ward, Michael D.
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 32.978 ± 0.0003 Å
• b: 29.72814 ± 0.00019 Å
• c: 39.5702 ± 0.0003 Å
• α: 90°
• β: 96.1393 ± 0.0007°
• γ: 90°
• Cell volume: 38571.1 ± 0.5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0979
• Residual factor for significantly intense reflections: 0.068
• Weighted residual factors for significantly intense reflections: 0.2126
• Weighted residual factors for all reflections included in the refinement: 0.233
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.6889 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No