Information card for entry 1559071

Structure parameters

• Formula: C504 H472 B24 Cd12 F96 N120 O20
• Calculated formula: C480 H396 B10.5 Cd12 F42 N108 O9.24
• Title of publication: A family of diastereomeric dodecanuclear coordination cages based on inversion of chirality of individual triangular cyclic helicate faces
• Authors of publication: Argent, Stephen P.; Jackson, Fiona C.; Chan, Ho Man; Meyrick, Sam; Taylor, Christopher G. P.; Ronson, Tanya K.; Rourke, Jonathan P.; Ward, Michael D.
• Journal of publication: Chemical Science
• Year of publication: 2020
• a: 89.68 ± 0.03 Å
• b: 24.7801 ± 0.001 Å
• c: 51.463 ± 0.019 Å
• α: 90°
• β: 147.82 ± 0.09°
• γ: 90°
• Cell volume: 60909 ± 16 ų
• Cell temperature: 150.04 ± 0.11 K
• Ambient diffraction temperature: 150.04 ± 0.11 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: 0.1632
• Residual factor for significantly intense reflections: 0.1287
• Weighted residual factors for significantly intense reflections: 0.3762
• Weighted residual factors for all reflections included in the refinement: 0.4159
• Goodness-of-fit parameter for all reflections included in the refinement: 1.565
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No