Information card for entry 4123141

Structure parameters

• Formula: C44 H34 Ag F6 N2 O Sb
• Calculated formula: C44 H34 Ag F6 N2 O Sb
• SMILES: [Sb](F)(F)(F)(F)([F-])F.[Ag]1([n]2c(c3c4ccccc4cc4ccccc34)ccc3c2c2[n]1c(ccc2cc3)c1c2ccccc2cc2ccccc12)[O](CC)CC
• Title of publication: Multipoint Recognition of Ditopic Aromatic Guest Molecules via Ag-π Interactions within a Dimetal Macrocycle.
• Authors of publication: Omoto, Kenichiro; Tashiro, Shohei; Kuritani, Masumi; Shionoya, Mitsuhiko
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Pages of publication: 141216134140000
• a: 11.8793 ± 0.0003 Å
• b: 12.7449 ± 0.0004 Å
• c: 13.1635 ± 0.0004 Å
• α: 90.9228 ± 0.0011°
• β: 94.7179 ± 0.0009°
• γ: 100.35 ± 0.0009°
• Cell volume: 1952.92 ± 0.1 ų
• Cell temperature: 98 K
• Ambient diffraction temperature: 98 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0213
• Residual factor for significantly intense reflections: 0.0196
• Weighted residual factors for significantly intense reflections: 0.0702
• Weighted residual factors for all reflections included in the refinement: 0.0757
• Goodness-of-fit parameter for all reflections included in the refinement: 1.15
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No