Information card for entry 4088472

Structure parameters

• Common name: Moris387
• Formula: C25 H41 Cl2 N3 O Ti
• Calculated formula: C25 H41 Cl2 N3 O Ti
• SMILES: [Ti](Cl)(Cl)(Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1)N=C1N(C(C)(C)C)C=CN1C(C)(C)C
• Title of publication: Synthesis of Imidazolin-2-iminato Titanium Complexes Containing Aryloxo Ligands and Their Catalytic Performance in the Polymerization of α-Olefins
• Authors of publication: Shoken, Dana; Shimon, Linda J. W.; Tamm, Matthias; Eisen, Moris S.
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 8
• Pages of publication: 1125
• a: 17.329 ± 0.0004 Å
• b: 9.551 ± 0.0002 Å
• c: 18.416 ± 0.0007 Å
• α: 90°
• β: 101.583 ± 0.001°
• γ: 90°
• Cell volume: 2985.95 ± 0.15 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.065
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1211
• Weighted residual factors for all reflections included in the refinement: 0.1348
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No