Information card for entry 2236403

Structure parameters

• Common name: 6-Benzyl-2-methyl-1,3-bis(pentafluorophenyl)-1,3,6,2-triazaalumocane
• Chemical name: [<i>N</i>-Benzyl-<i>N</i>,<i>N</i>-bis(pentafluorophenylanide)ethyl]amine -methylaluminium(III)
• Formula: C24 H18 Al F10 N3
• Calculated formula: C24 H18 Al F10 N3
• SMILES: [Al]12(N(CC[N]2(Cc2ccccc2)CCN1c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F)C
• Title of publication: 6-Benzyl-2-methyl-1,3-bis(pentafluorophenyl)-1,3,6,2-triazaalumocane
• Authors of publication: Kireenko, Marina M.; Zaitsev, Kirill V.; Churakov, Andrei V.; Zaitseva, Galina S.; Karlov, Sergey S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 11
• Pages of publication: m1385 - m1386
• a: 7.953 ± 0.0014 Å
• b: 33.577 ± 0.006 Å
• c: 8.7247 ± 0.0015 Å
• α: 90°
• β: 100.809 ± 0.002°
• γ: 90°
• Cell volume: 2288.5 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0427
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0909
• Weighted residual factors for all reflections included in the refinement: 0.0944
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No