Information card for entry 1567742

Structure parameters

• Formula: C56.88 H67.67 Al4 F36.06 Ga N3 O3.97
• Calculated formula: C56.87 H67.665 Al4 F36.045 Ga N3 O3.968
• 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: 10.927 ± 0.006 Å
• b: 17.637 ± 0.011 Å
• c: 19.087 ± 0.01 Å
• α: 94.601 ± 0.014°
• β: 97.945 ± 0.015°
• γ: 98.66 ± 0.03°
• Cell volume: 3582 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0869
• Residual factor for significantly intense reflections: 0.0609
• Weighted residual factors for significantly intense reflections: 0.1469
• Weighted residual factors for all reflections included in the refinement: 0.1617
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No