Information card for entry 4122221

Structure parameters

• Chemical name: CGCTiCl2-C0-SNS
• Formula: C23 H38 Cl2 N2 S2 Si Ti
• Calculated formula: C23 H38 Cl2 N2 S2 Si Ti
• SMILES: [Ti]12345(Cl)(Cl)N(C(C)(C)C)[Si]([c]63[c]32[c]4(cccc3)[c]5([cH]61)N(CCSCC)CCSCC)(C)C
• Title of publication: Very large cooperative effects in heterobimetallic titanium-chromium catalysts for ethylene polymerization/copolymerization.
• Authors of publication: Liu, Shaofeng; Motta, Alessandro; Mouat, Aidan R.; Delferro, Massimiliano; Marks, Tobin J.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 29
• Pages of publication: 10460 - 10469
• a: 8.3021 ± 0.0003 Å
• b: 29.2371 ± 0.0011 Å
• c: 11.9237 ± 0.0004 Å
• α: 90°
• β: 107.348 ± 0.003°
• γ: 90°
• Cell volume: 2762.58 ± 0.18 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• 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: 0.0981
• Residual factor for significantly intense reflections: 0.0731
• Weighted residual factors for all reflections included in the refinement: 0.1994
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0286
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No