Information card for entry 1567745

Structure parameters

• Formula: C48.13 H46.42 Al4 F36.71 O4 Tl
• Calculated formula: C48.1285 H46.4163 Al4 F36.7172 O4.001 Tl
• 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: 22.345 ± 0.017 Å
• b: 26.95 ± 0.03 Å
• c: 29.77 ± 0.02 Å
• α: 88.88 ± 0.03°
• β: 70.81 ± 0.05°
• γ: 70.94 ± 0.05°
• Cell volume: 15925 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1018
• Residual factor for significantly intense reflections: 0.0583
• Weighted residual factors for significantly intense reflections: 0.141
• Weighted residual factors for all reflections included in the refinement: 0.1631
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No