Information card for entry 4103522

Structure parameters

• Common name: Ga4L6 supramolecular cluster
• Formula: C214.5 H216.5 Ga4 K3 N13 O44.25 P5
• Calculated formula: C214.497 H149 Ga4 K3 N13 O44.25 P5
• Title of publication: Encapsulated Guest-Host Dynamics: Guest Rotational Barriers and Tumbling as a Probe of Host Interior Cavity Space
• Authors of publication: Jeffrey S. Mugridge; Géza Szigethy; Robert G. Bergman; Kenneth N. Raymond
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 16256 - 16264
• a: 20.38 ± 0.004 Å
• b: 20.556 ± 0.004 Å
• c: 35.192 ± 0.007 Å
• α: 90.28 ± 0.03°
• β: 92.8 ± 0.03°
• γ: 109.91 ± 0.03°
• Cell volume: 13842 ± 5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1248
• Residual factor for significantly intense reflections: 0.1038
• Weighted residual factors for significantly intense reflections: 0.2784
• Weighted residual factors for all reflections included in the refinement: 0.3028
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No