Information card for entry 4123051

Structure parameters

• Formula: C312 H496 Ga12 N10 O170 Tl1.4
• Calculated formula: C287.2 H250 Ga12 N7.2 O128.8 Tl1.4
• 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: 21.954 ± 0.003 Å
• b: 22.904 ± 0.003 Å
• c: 24.02 ± 0.005 Å
• α: 111.03 ± 0.002°
• β: 106.034 ± 0.002°
• γ: 107.928 ± 0.002°
• Cell volume: 9656 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.2019
• Residual factor for significantly intense reflections: 0.1029
• Weighted residual factors for significantly intense reflections: 0.2882
• Weighted residual factors for all reflections included in the refinement: 0.3721
• Goodness-of-fit parameter for all reflections included in the refinement: 1.174
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No