Information card for entry 7131063

Structure parameters

• Formula: C32 H18 Al2 F20 O2
• Calculated formula: C32 H18 Al2 F20 O2
• SMILES: [Al]1([O](C(C)(C)C)[Al]([O]1C(C)(C)C)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
• Title of publication: Structure and reactivity studies of the aluminum analogue of Piers' borane [HAl(C₆F₅)₂]₃.
• Authors of publication: Tan, Jingjie; Hu, Chaopeng; Yang, Xin; Ju, Shaoying; Cao, Levy L.; Wu, Yile; Liu, Liu Leo; Stephan, Douglas W.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 3
• Pages of publication: 282 - 285
• a: 12.0639 ± 0.0004 Å
• b: 18.5498 ± 0.0006 Å
• c: 24.2232 ± 0.0008 Å
• α: 84.238 ± 0.002°
• β: 76.575 ± 0.002°
• γ: 72.095 ± 0.002°
• Cell volume: 5014.8 ± 0.3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1074
• Residual factor for significantly intense reflections: 0.0947
• Weighted residual factors for significantly intense reflections: 0.2713
• Weighted residual factors for all reflections included in the refinement: 0.2822
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No