Information card for entry 4118765

Structure parameters

• Common name: Motis-209(Manab)
• Formula: C22 H40 Cl2 N6 Ti
• Calculated formula: C22 H40 Cl2 N6 Ti
• SMILES: [Ti](Cl)(Cl)(N=C1N(C(C)(C)C)C=CN1C(C)(C)C)N=C1N(C(C)(C)C)C=CN1C(C)(C)C
• Title of publication: Bis(1,3-di-tert-butylimidazolin-2-iminato) Titanium Complexes as Effective Catalysts for the Monodisperse Polymerization of Propylene
• Authors of publication: Manab Sharma; Haneen Simaan Yameen; Boris Tumanskii; Sabina-Alexandra Filimon; Matthias Tamm; Moris S. Eisen
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 17234 - 17244
• a: 9.768 ± 0.002 Å
• b: 15.864 ± 0.003 Å
• c: 18.139 ± 0.004 Å
• α: 90°
• β: 104.84 ± 0.03°
• γ: 90°
• Cell volume: 2717.1 ± 1 ų
• Cell temperature: 240 ± 1 K
• Ambient diffraction temperature: 240 ± 1 K
• Number of distinct elements: 5
• 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: 0.0917
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.0846
• Weighted residual factors for all reflections included in the refinement: 0.0929
• Goodness-of-fit parameter for all reflections included in the refinement: 0.863
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No