Information card for entry 1558497

Structure parameters

• Formula: C377 H416 B16 Cl2 Co8 F64 N72 O39
• Calculated formula: C339 H262 B9.17 Cl2 Co8 F33.68 N72 O
• Title of publication: Interactions of Small-Molecule Guests with Interior and Exterior Surfaces of a Coordination Cage Host
• Authors of publication: Taylor, Christopher G. P.; Train, Jennifer S.; Ward, Michael D.
• Journal of publication: Chemistry
• Year of publication: 2020
• Journal volume: 2
• Journal issue: 2
• Pages of publication: 510 - 524
• a: 32.8588 ± 0.00017 Å
• b: 30.06718 ± 0.00013 Å
• c: 40.1053 ± 0.0002 Å
• α: 90°
• β: 96.0585 ± 0.0005°
• γ: 90°
• Cell volume: 39401.6 ± 0.3 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 8
• 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: 0.1176
• Residual factor for significantly intense reflections: 0.0827
• Weighted residual factors for significantly intense reflections: 0.2785
• Weighted residual factors for all reflections included in the refinement: 0.3038
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.6889 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No