Information card for entry 1547767

Structure parameters

• Common name: Aluminumtris(decafluordiphenylamide)
• Formula: C36 Al F30 N3
• Calculated formula: C36 Al F30 N3
• SMILES: [Al]12(N(c3c(c(c(c(c3F)F)F)F)F)c3c(c(c(c(c3[F]1)F)F)F)F)(N(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1[F]2)F)F)F)F)N(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F
• 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: 10.86 ± 0.001 Å
• b: 12.7006 ± 0.0011 Å
• c: 14.3671 ± 0.0013 Å
• α: 73.501 ± 0.01°
• β: 72.779 ± 0.011°
• γ: 89.315 ± 0.011°
• Cell volume: 1809.2 ± 0.3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0661
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0839
• Weighted residual factors for all reflections included in the refinement: 0.0914
• Goodness-of-fit parameter for all reflections included in the refinement: 0.853
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No