Information card for entry 4114143

Structure parameters

• Formula: C40 H68 N6 Si2 Ti2
• Calculated formula: C40 H68 N6 Si2 Ti2
• SMILES: [cH]12[c]3(CC[c]45[cH]6[c]7([c]89cccc[c]48%10)[Si](N(C(C)(C)C)[Ti]5679%10(N(C)C)N(C)C)(C)C)[c]45[c]6([c]71[Si](N(C(C)(C)C)[Ti]23467(N(C)C)N(C)C)(C)C)cccc5
• Title of publication: Catalyst/Cocatalyst Nuclearity Effects in Single-Site Olefin Polymerization. Significantly Enhanced 1-Octene and Isobutene Comonomer Enchainment in Ethylene Polymerizations Mediated by Binuclear Catalysts and Cocatalysts
• Authors of publication: Hongbo Li; Liting Li; Tobin J. Marks; Louise Liable-Sands; Arnold L. Rheingold
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 10788 - 10789
• a: 8.3171 ± 0.0002 Å
• b: 9.8177 ± 0.0002 Å
• c: 13.8667 ± 0.0004 Å
• α: 83.5443 ± 0.001°
• β: 83.2403 ± 0.0011°
• γ: 83.5394 ± 0.0008°
• Cell volume: 1111.61 ± 0.05 ų
• Cell temperature: 198 ± 2 K
• Ambient diffraction temperature: 198 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1142
• Residual factor for significantly intense reflections: 0.0752
• Weighted residual factors for all reflections: 0.2631
• Weighted residual factors for significantly intense reflections: 0.1875
• Goodness-of-fit parameter for all reflections: 1.308
• Goodness-of-fit parameter for significantly intense reflections: 1.292
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No