Information card for entry 7101976

Structure parameters

• Formula: C42 H44 Ga6 O13
• Calculated formula: C42 H42 Ga6 O13
• 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: 13.252 ± 0.003 Å
• b: 15.578 ± 0.003 Å
• c: 15.739 ± 0.003 Å
• α: 62.67 ± 0.03°
• β: 81.12 ± 0.03°
• γ: 66.97 ± 0.03°
• Cell volume: 2655.2 ± 0.9 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1412
• Residual factor for significantly intense reflections: 0.0585
• Weighted residual factors for significantly intense reflections: 0.1231
• Weighted residual factors for all reflections included in the refinement: 0.1436
• Goodness-of-fit parameter for all reflections included in the refinement: 0.891
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No