Information card for entry 4078050

Structure parameters

• Common name: Moris-75 (Sinay)
• Formula: C34 H62 Cl2 N4 Si4 Ti
• Calculated formula: C34 H62 Cl2 N4 Si4 Ti
• SMILES: C1(c2ccc(cc2)CCCC)=[N]([Si](C)(C)C)[Ti]2(N1[Si](C)(C)C)([N]([Si](C)(C)C)=C(c1ccc(cc1)CCCC)N2[Si](C)(C)C)(Cl)Cl
• 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: 19.879 ± 0.004 Å
• b: 8.79 ± 0.002 Å
• c: 24.641 ± 0.005 Å
• α: 90°
• β: 92.1 ± 0.02°
• γ: 90°
• Cell volume: 4302.8 ± 1.6 ų
• Cell temperature: 230 ± 2 K
• Ambient diffraction temperature: 230 ± 1 K
• Number of distinct elements: 6
• 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: 0.0931
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.0886
• Weighted residual factors for all reflections included in the refinement: 0.1002
• Goodness-of-fit parameter for all reflections included in the refinement: 0.948
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No