Information card for entry 4123052

Structure parameters

• Formula: C288 H528 Ga12 N14 O178 Rb1.77 Tl1.74
• Calculated formula: C278.8 H260.2 Ga12 N10.5 O136.4 Rb1.768 Tl1.74
• 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: 21.834 ± 0.002 Å
• b: 22.851 ± 0.003 Å
• c: 23.985 ± 0.004 Å
• α: 111.113 ± 0.002°
• β: 105.909 ± 0.002°
• γ: 108.18 ± 0.001°
• Cell volume: 9545 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.2003
• Residual factor for significantly intense reflections: 0.101
• Weighted residual factors for significantly intense reflections: 0.293
• Weighted residual factors for all reflections included in the refinement: 0.357
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No