Information card for entry 7122553

Structure parameters

• Formula: C128 H124 F4 N24 O16 Pd2
• Calculated formula: C128 H124 F4 N24 O16 Pd2
• Title of publication: Helicity adaptation within a quadruply stranded helicate by encapsulation.
• Authors of publication: Lin, Qi; Gao, Lei; Kauffmann, Brice; Zhang, Jiajia; Ma, Chunmiao; Luo, Dan; Gan, Quan
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 95
• Pages of publication: 13447 - 13450
• a: 18.9268 ± 0.0006 Å
• b: 18.9268 ± 0.0006 Å
• c: 24.7717 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8873.8 ± 0.5 ų
• Cell temperature: 100.01 ± 0.13 K
• Ambient diffraction temperature: 100.01 ± 0.13 K
• Number of distinct elements: 6
• Space group number: 87
• Hermann-Mauguin space group symbol: I 4/m
• Hall space group symbol: -I 4
• Residual factor for all reflections: 0.096
• Residual factor for significantly intense reflections: 0.0692
• Weighted residual factors for significantly intense reflections: 0.182
• Weighted residual factors for all reflections included in the refinement: 0.1954
• Goodness-of-fit parameter for all reflections included in the refinement: 0.937
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No