Information card for entry 4088470

Structure parameters

• Common name: Moris342 (Dana)
• Formula: C33 H40 Cl2 N3 O Ti
• Calculated formula: C33 H40 Cl2 N3 O Ti
• SMILES: [Ti](Cl)(Cl)(Oc1c(c[c]cc1C(C)C)C(C)C)N=C1N(C=CN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)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: 20.187 ± 0.004 Å
• b: 10.317 ± 0.002 Å
• c: 16.251 ± 0.003 Å
• α: 90°
• β: 91.42 ± 0.02°
• γ: 90°
• Cell volume: 3383.5 ± 1.1 ų
• Cell temperature: 250 ± 2 K
• Ambient diffraction temperature: 250 ± 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: 0.1351
• Residual factor for significantly intense reflections: 0.0617
• Weighted residual factors for significantly intense reflections: 0.1728
• Weighted residual factors for all reflections included in the refinement: 0.2039
• Goodness-of-fit parameter for all reflections included in the refinement: 0.929
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No