Information card for entry 7001729

Structure parameters

• Common name: 1,3,5-Trimethyl-1,3,5-triazacyclohexane - Bis(trimethylaluminium)-Adduct
• Chemical name: 1,3,5-Trimethyl-1,3,5-triazacyclohexane - Bis(trimethylaluminium)-Adduct
• Formula: C19 H41 Al2 N3
• Calculated formula: C19 H41 Al2 N3
• SMILES: [Al]([N]1(C[N]([Al](C)(C)C)(CN(C1)C)C)C)(C)(C)C.c1(ccccc1)C
• Title of publication: Neutral ligand induced methane elimination from rare-earth metal tetramethylaluminates up to the six-coordinate carbide state
• Authors of publication: Venugopal, Ajay; Kamps, Ina; Bojer, Daniel; Berger, Raphael J. F.; Mix, Andreas; Willner, Alexander; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 29
• Pages of publication: 5755
• a: 10.6826 ± 0.0015 Å
• b: 29.104 ± 0.004 Å
• c: 7.8399 ± 0.0011 Å
• α: 90°
• β: 96.978 ± 0.015°
• γ: 90°
• Cell volume: 2419.4 ± 0.6 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 2 K
• Number of distinct elements: 4
• 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: 0.0906
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.0997
• Weighted residual factors for all reflections included in the refinement: 0.114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No