Information card for entry 7110401

Structure parameters

• Formula: C24 H34 Al3 Cl3 N2 O2
• Calculated formula: C24 H34 Al3 Cl3 N2 O2
• SMILES: [Al]1([O]2[Al]34([O]1c1ccccc1C(=[N]4CC[N]3=C(CC)c1ccccc12)CC)C)(C)C.[Al](Cl)(Cl)(Cl)C
• Title of publication: Stereochemical control of cis- and trans-TiCl2 groups in six-coordinate complexes [(L)TiCl2] (L2− = N2O2-donor Schiff base) and reactions with trimethylaluminium to form cationic aluminium species
• Authors of publication: Corden, Jonathan P.; Errington, William; Moore, Peter; Wallbridge, Malcolm G. H.
• Journal of publication: Chemical Communications
• Year of publication: 1999
• Journal issue: 4
• Pages of publication: 323
• a: 15.7057 ± 0.0015 Å
• b: 9.7173 ± 0.0009 Å
• c: 19.5089 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2977.4 ± 0.5 ų
• Cell temperature: 230 ± 2 K
• Ambient diffraction temperature: 230 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.1187
• Residual factor for significantly intense reflections: 0.0735
• Weighted residual factors for significantly intense reflections: 0.1607
• Weighted residual factors for all reflections included in the refinement: 0.1905
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No