Information card for entry 4078048

Structure parameters

• Formula: C28 H50 Cl2 N4 O2 Si4 Ti
• Calculated formula: C28 H50 Cl2 N4 O2 Si4 Ti
• SMILES: C[Si](C)(C)[N]1=C(c2ccc(cc2)OC)N([Ti]21([N]([Si](C)(C)C)=C(c1ccc(cc1)OC)N2[Si](C)(C)C)(Cl)Cl)[Si](C)(C)C
• Title of publication: Elucidation of Substituent Effects in the Polymerization of Propylene Promoted by Titanium Amidinates
• Authors of publication: Aharonovich, Sinai; Botoshansky, Mark; Balazs, Yael S.; Eisen, Moris S.
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 8
• Pages of publication: 3435
• a: 28.017 ± 0.0006 Å
• b: 8.761 ± 0.0003 Å
• c: 19.836 ± 0.0006 Å
• α: 90°
• β: 127.287 ± 0.0012°
• γ: 90°
• Cell volume: 3873.7 ± 0.2 ų
• Cell temperature: 230 ± 0.1 K
• Ambient diffraction temperature: 230 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.056
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.0969
• Weighted residual factors for all reflections included in the refinement: 0.1016
• Goodness-of-fit parameter for all reflections included in the refinement: 0.942
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No