Information card for entry 1567741

Structure parameters

• Formula: C55 H66 Al4 F36 Ga N3 O4
• Calculated formula: C54.996 H66 Al4 F35.991 Ga N3 O3.999
• 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: 17.181 ± 0.007 Å
• b: 21.399 ± 0.006 Å
• c: 21.691 ± 0.005 Å
• α: 117.464 ± 0.012°
• β: 90.245 ± 0.014°
• γ: 90.863 ± 0.016°
• Cell volume: 7075 ± 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: 0.1249
• Residual factor for significantly intense reflections: 0.0743
• Weighted residual factors for significantly intense reflections: 0.1716
• Weighted residual factors for all reflections included in the refinement: 0.2022
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No