Information card for entry 7122551

Structure parameters

• Formula: C132 H136 F4 N26 O24 Pd2 S2
• Calculated formula: C132 H136 F4 N26 O24 Pd2 S2
• 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: 21.3685 ± 0.0003 Å
• b: 26.9448 ± 0.0004 Å
• c: 41.0041 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 23608.9 ± 0.7 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 57
• Hermann-Mauguin space group symbol: P b c m
• Hall space group symbol: -P 2c 2b
• Residual factor for all reflections: 0.1072
• Residual factor for significantly intense reflections: 0.0794
• Weighted residual factors for significantly intense reflections: 0.2359
• Weighted residual factors for all reflections included in the refinement: 0.2561
• Goodness-of-fit parameter for all reflections included in the refinement: 0.926
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No