Information card for entry 4114142

Structure parameters

• Formula: C44 H39 B F15 N Si Ti
• Calculated formula: C44 H39 B F15 N Si Ti
• SMILES: [Ti]12345(N(C(C)(C)C)[Si]([c]72[cH]3[c]4([c]25cccc[c]172)CC)(C)C)C.C[B-](c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F.c1(ccccc1)C
• 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: 11.0774 ± 0.0008 Å
• b: 12.8788 ± 0.0009 Å
• c: 16.3857 ± 0.0012 Å
• α: 90.261 ± 0.001°
• β: 97.991 ± 0.001°
• γ: 110.68 ± 0.001°
• Cell volume: 2162.2 ± 0.3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0794
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for significantly intense reflections: 0.1416
• Weighted residual factors for all reflections included in the refinement: 0.1556
• Goodness-of-fit parameter for all reflections included in the refinement: 0.961
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No