Information card for entry 4082429

Structure parameters

• Common name: Moris-359 (Tatiana)
• Formula: C40 H42 N6 O2 Ti
• Calculated formula: C40 H42 N6 O2 Ti
• SMILES: [Ti]12([N](=C(N1Cc1occc1)c1ccccc1)c1ccccc1)([N](=C(N2Cc1occc1)c1ccccc1)c1ccccc1)(N(C)C)N(C)C
• Title of publication: Titanium Bis(amidinates) Bearing Electron Donating Pendant Arms as Catalysts for Stereospecific Polymerization of Propylene
• Authors of publication: Elkin, Tatyana; Botoshansky, Mark; Waymouth, Robert M.; Eisen, Moris S.
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 4
• Pages of publication: 840
• a: 19.525 ± 0.004 Å
• b: 10.504 ± 0.002 Å
• c: 17.787 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3647.9 ± 1.2 ų
• Cell temperature: 250 ± 2 K
• Ambient diffraction temperature: 250 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0925
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.1191
• Weighted residual factors for all reflections included in the refinement: 0.1377
• Goodness-of-fit parameter for all reflections included in the refinement: 0.873
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No