Information card for entry 1547768

Structure parameters

• Formula: C105 H31 Al2 F62 Li N6
• Calculated formula: C105 H31 Al2 F62 Li N6
• SMILES: [Al](N(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)(N(c1c([F]2)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)(N(c1c([F]3)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)[F][Li]1234[F][Al](N(c2c([F]1)c(F)c(F)c(F)c2F)c1c(F)c(F)c(F)c(F)c1F)(N(c1c([F]4)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)N(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F.[C+](c1ccccc1)(c1ccccc1)c1ccccc1.c1(ccccc1)C.c1ccc(C)cc1
• Title of publication: The Lewis superacid Al[N(C₆F₅)₂]₃ and its higher homolog Ga[N(C₆F₅)₂]₃ - structural features, theoretical investigation and reactions of a metal amide with higher fluoride ion affinity than SbF₅.
• Authors of publication: Kögel, J F; Sorokin, D. A.; Khvorost, A.; Scott, M.; Harms, K.; Himmel, D.; Krossing, I.; Sundermeyer, J.
• Journal of publication: Chemical science
• Year of publication: 2018
• Journal volume: 9
• Journal issue: 1
• Pages of publication: 245 - 253
• a: 14.4989 ± 0.0014 Å
• b: 18.051 ± 0.002 Å
• c: 21.909 ± 0.002 Å
• α: 84.427 ± 0.013°
• β: 73.249 ± 0.012°
• γ: 67.033 ± 0.012°
• Cell volume: 5054.7 ± 1 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.1244
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for significantly intense reflections: 0.1268
• Weighted residual factors for all reflections included in the refinement: 0.1483
• Goodness-of-fit parameter for all reflections included in the refinement: 0.793
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No