Information card for entry 4120560

Structure parameters

• Formula: C256 H310.7 F56 N90.79 O173.83 Pd12
• Calculated formula: C256 H310.7 F56 N90.786 O173.834 Pd12
• Title of publication: Recognition of polyfluorinated compounds through self-aggregation in a cavity.
• Authors of publication: Takezawa, Hiroki; Murase, Takashi; Resnati, Giuseppe; Metrangolo, Pierangelo; Fujita, Makoto
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 5
• Pages of publication: 1786 - 1788
• a: 24.284 ± 0.003 Å
• b: 24.306 ± 0.003 Å
• c: 24.636 ± 0.003 Å
• α: 115.99 ± 0.001°
• β: 90.625 ± 0.002°
• γ: 119.371 ± 0.001°
• Cell volume: 10907 ± 2 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1267
• Residual factor for significantly intense reflections: 0.0789
• Weighted residual factors for significantly intense reflections: 0.2119
• Weighted residual factors for all reflections included in the refinement: 0.2437
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No