Information card for entry 2011413

Structure parameters

• Formula: C72 H56 B2 Cl2 F40 Ga12 O16
• Calculated formula: C72 H56 B2 Cl1.99 F40 Ga12 O16
• Title of publication: A dicationic gallium‒oxo‒hydroxide cage compound
• Authors of publication: Swenson, Dale C.; Dagorne, Samuel; Jordan, Richard F.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 10
• Pages of publication: 1213 - 1215
• a: 13.532 ± 0.003 Å
• b: 15.223 ± 0.005 Å
• c: 12.755 ± 0.003 Å
• α: 101.98 ± 0.02°
• β: 106.91 ± 0.02°
• γ: 83.71 ± 0.02°
• Cell volume: 2455.7 ± 1.2 ų
• Cell temperature: 210 ± 2 K
• Ambient diffraction temperature: 210 ± 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: 0.132
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for all reflections included in the refinement: 0.122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes