Information card for entry 7113275

Structure parameters

• Formula: C67.67 H78 Br2.34 Ga7 O10.5
• Calculated formula: C67.69 H78.02 Br2.33 Ga7 O10.5
• Title of publication: Icosahedral galloxane clusters
• Authors of publication: McKinlay, Robert M.; Dalgarno, Scott J.; Nichols, Peter J.; Papadopoulos, Stavroula; Atwood, Jerry L.; Raston, Colin L.
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2007
• Journal issue: 23
• Pages of publication: 2393 - 2395
• a: 16.011 ± 0.003 Å
• b: 16.203 ± 0.003 Å
• c: 16.717 ± 0.003 Å
• α: 77.42 ± 0.03°
• β: 61.6 ± 0.03°
• γ: 74.52 ± 0.03°
• Cell volume: 3655.3 ± 1.6 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1434
• Residual factor for significantly intense reflections: 0.0697
• Weighted residual factors for significantly intense reflections: 0.1487
• Weighted residual factors for all reflections included in the refinement: 0.1805
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7101978
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No