Information card for entry 7026885

Structure parameters

• Formula: C55 H15 Al F28 N4
• Calculated formula: C55 H15 Al F28 N4
• SMILES: [Al]12(N(c3c(N1c1c(F)c(F)c(F)c(F)c1F)c(F)c(F)c(F)c3F)c1c(F)c(F)c(F)c(F)c1F)N(c1c(N2c2c(F)c(F)c(F)c(F)c2F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F.[C+](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: A new weakly coordinating aluminate anion incorporating a chelating perfluoro-bis-anilido ligand.
• Authors of publication: Smith, Joshua C.; Ma, Kuangbiao; Piers, Warren E.; Parvez, Masood; McDonald, Robert
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 42
• Pages of publication: 10256 - 10263
• a: 12.1986 ± 0.0016 Å
• b: 21.771 ± 0.003 Å
• c: 18.362 ± 0.002 Å
• α: 90°
• β: 95.33 ± 0.002°
• γ: 90°
• Cell volume: 4855.4 ± 1.1 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• 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: 0.1528
• Residual factor for significantly intense reflections: 0.0596
• Weighted residual factors for significantly intense reflections: 0.0872
• Weighted residual factors for all reflections included in the refinement: 0.1135
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No