Information card for entry 7110400

Structure parameters

• Formula: C25 H29 Cl5 N2 O2 Ti
• Calculated formula: C25 H29 Cl5 N2 O2 Ti
• SMILES: [Ti]123(Cl)(Cl)[N](=C(c4c(O2)cccc4)CC)[C@H]2CCCC[C@@H]2[N]1=C(CC)c1ccccc1O3.ClC(Cl)Cl.[Ti]123(Cl)(Cl)[N](=C(c4c(O2)cccc4)CC)[C@@H]2CCCC[C@H]2[N]1=C(CC)c1ccccc1O3.ClC(Cl)Cl
• 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: 16.446 ± 0.003 Å
• b: 9.796 ± 0.002 Å
• c: 18.16 ± 0.004 Å
• α: 90°
• β: 111.32 ± 0.03°
• γ: 90°
• Cell volume: 2725.4 ± 1.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.182
• Residual factor for significantly intense reflections: 0.0539
• Weighted residual factors for significantly intense reflections: 0.0998
• Weighted residual factors for all reflections included in the refinement: 0.1248
• Goodness-of-fit parameter for all reflections included in the refinement: 0.597
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No