Information card for entry 4071392

Structure parameters

• Formula: C36 H60 Al2 N2 Ti
• Calculated formula: C36 H60 Al2 N2 Ti
• SMILES: [Ti]1([N](=C(C=C(N1c1c(cccc1C(C)C)C(C)C)C)C)c1c(C(C)C)cccc1C(C)C)(C)C1[Al]([CH3][Al]1(C)C)(C)C
• Title of publication: Formation of a Titanium Complex with a TiCHAl2Structural Unit from LTiMe3and Trimethylaluminum§
• Authors of publication: Nikiforov, Grigory B.; Roesky, Herbert W.; Heisen, Burkhard C.; Oswald, Rainer B.
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 11
• Pages of publication: 2544
• a: 9.772 ± 0.002 Å
• b: 10.029 ± 0.002 Å
• c: 20.808 ± 0.004 Å
• α: 87.45 ± 0.03°
• β: 87.38 ± 0.03°
• γ: 67.78 ± 0.03°
• Cell volume: 1885 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0656
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1199
• Weighted residual factors for all reflections included in the refinement: 0.1311
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No