Information card for entry 7120395

Structure parameters

• Formula: C47 H30 Ag2 Cl2 F6 N4 O6 S2
• Calculated formula: C47 H30 Ag2 Cl2 F6 N4 O6 S2
• SMILES: [Ag]1[n]2c(C#Cc3c4cc5C#Cc6[n]([Ag][n]7ccccc7C#Cc7cc(CCc5c3)c(C#Cc3[n]1cccc3)cc7CC4)cccc6)cccc2.S(=O)(=O)(C(F)(F)F)[O-].S(=O)(=O)([O-])C(F)(F)F.ClCCl
• Title of publication: A silver(i)-induced higher-ordered structure based on planar chiral tetrasubstituted [2.2]paracyclophane
• Authors of publication: Gon, Masayuki; Morisaki, Yasuhiro; Chujo, Yoshiki
• Journal of publication: Chem. Commun.
• Year of publication: 2017
• a: 14.8841 ± 0.0007 Å
• b: 14.9687 ± 0.0007 Å
• c: 21.4518 ± 0.001 Å
• α: 90°
• β: 102.663 ± 0.007°
• γ: 90°
• Cell volume: 4663.1 ± 0.4 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.1674
• Residual factor for significantly intense reflections: 0.0889
• Weighted residual factors for significantly intense reflections: 0.1291
• Weighted residual factors for all reflections included in the refinement: 0.1516
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No