Information card for entry 1547770

Structure parameters

• Common name: Cesiumtris(decafluordiphenylamide)fluoroaluminate
• Formula: C57 H24 Al Cs F31 N3
• Calculated formula: C57 H24 Al Cs F31 N3
• SMILES: c1(c(c(c(c(c1F)F)F)F)F)N(c1c(c(c(c(c1F)F)F)F)F)[Al](N(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F)(N(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F)F.c1(ccccc1)C.c1(ccccc1)C.c1(C)ccccc1.[Cs+]
• 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: 13.0294 ± 0.0005 Å
• b: 26.0373 ± 0.0007 Å
• c: 16.8481 ± 0.0006 Å
• α: 90°
• β: 92.421 ± 0.003°
• γ: 90°
• Cell volume: 5710.6 ± 0.3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0828
• Residual factor for significantly intense reflections: 0.0601
• Weighted residual factors for significantly intense reflections: 0.1657
• Weighted residual factors for all reflections included in the refinement: 0.1779
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No