Information card for entry 4123053

Structure parameters

• Formula: C298 H552 Ga12 K2 N8 O148 Tl0.74
• Calculated formula: C281.5 H276 Ga12 K2 N6 O134.4 Tl0.74
• Title of publication: Strong Cation···π Interactions Promote the Capture of Metal Ions within Metal-Seamed Nanocapsule.
• Authors of publication: Kumari, Harshita; Jin, Ping; Teat, Simon J.; Barnes, Charles L.; Dalgarno, Scott J.; Atwood, Jerry L.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Pages of publication: 141126123744004
• a: 21.915 ± 0.0017 Å
• b: 22.9674 ± 0.0017 Å
• c: 24.021 ± 0.003 Å
• α: 111.226 ± 0.001°
• β: 106.028 ± 0.001°
• γ: 107.9 ± 0.001°
• Cell volume: 9648 ± 1.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.1343
• Residual factor for significantly intense reflections: 0.0844
• Weighted residual factors for significantly intense reflections: 0.2542
• Weighted residual factors for all reflections included in the refinement: 0.305
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No