Information card for entry 7104512

Structure parameters

• Common name: PgC4 Ga
• Formula: C282 H335.5 Ga12 O111
• Calculated formula: C282 H335.5 Ga12 O111
• Title of publication: Enhanced control over metal composition in mixed Ga/Zn and Ga/Cu coordinated pyrogallol[4]arene nanocapsules.
• Authors of publication: Jin, Ping; Dalgarno, Scott J; Warren, John E; Teat, Simon J; Atwood, Jerry L
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 23
• Pages of publication: 3348 - 3350
• a: 25.922 ± 0.003 Å
• b: 27.515 ± 0.004 Å
• c: 30.147 ± 0.003 Å
• α: 90°
• β: 104.668 ± 0.009°
• γ: 90°
• Cell volume: 20801 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1024
• Residual factor for significantly intense reflections: 0.067
• Weighted residual factors for significantly intense reflections: 0.1771
• Weighted residual factors for all reflections included in the refinement: 0.1915
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.671 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No