Information card for entry 4079581

Structure parameters

• Formula: C40 H54 Al F36 Ga O4 Si2
• Calculated formula: C40 H54 Al F36 Ga O4 Si2
• Title of publication: Two-Coordinate Gallium Ion [tBu3Si-Ga-SitBu3]+and the Halonium Ions [tBu3Si-X-SitBu3]+(X = Br, I): Sources of the Supersilyl Cation [tBu3Si]+
• Authors of publication: Budanow, Alexandra; Sinke, Tanja; Tillmann, Jan; Bolte, Michael; Wagner, Matthias; Lerner, Hans-Wolfram
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 20
• Pages of publication: 7298
• a: 12.1771 ± 0.0009 Å
• b: 22.5073 ± 0.0016 Å
• c: 21.2123 ± 0.0014 Å
• α: 90°
• β: 90.543 ± 0.006°
• γ: 90°
• Cell volume: 5813.5 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.175
• Residual factor for significantly intense reflections: 0.1191
• Weighted residual factors for significantly intense reflections: 0.286
• Weighted residual factors for all reflections included in the refinement: 0.321
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No