Information card for entry 1559072

Structure parameters

• Formula: C560 H556 B24 Cd12 F96 N148 O20
• Calculated formula: C506.12 H432.02 B16.597 Cd12 F66.388 N117.74 O19.7
• 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: 26.5845 ± 0.0008 Å
• b: 53.3766 ± 0.001 Å
• c: 44.0442 ± 0.0008 Å
• α: 90°
• β: 94.842 ± 0.002°
• γ: 90°
• Cell volume: 62275 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.186
• Residual factor for significantly intense reflections: 0.151
• Weighted residual factors for significantly intense reflections: 0.3876
• Weighted residual factors for all reflections included in the refinement: 0.4184
• Goodness-of-fit parameter for all reflections included in the refinement: 1.429
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No