Information card for entry 1567740

Structure parameters

• Formula: C92 H90 Al8 F72 Ga2 O8
• Calculated formula: C91.9966 H90 Al8 F71.9923 Ga2 O7.99915
• Title of publication: From mixed group 13 cations [M(AlCp*)3]+ (M = Ga/In/Tl) to an Al4+ cluster
• Authors of publication: Dabringhaus, Philipp; Krossing, Ingo
• Journal of publication: Chemical Science
• Year of publication: 2022
• Journal volume: 13
• Journal issue: 41
• Pages of publication: 12078 - 12086
• a: 44.352 ± 0.011 Å
• b: 18.147 ± 0.004 Å
• c: 30.839 ± 0.007 Å
• α: 90°
• β: 102.49 ± 0.009°
• γ: 90°
• Cell volume: 24234 ± 10 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0727
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.0942
• Weighted residual factors for all reflections included in the refinement: 0.1072
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No