Information card for entry 4109477

Structure parameters

• Formula: C39 H39 N Si Ti
• Calculated formula: C39 H39 N Si Ti
• SMILES: [Ti]12345678(N(C(C)(C)C)[Si]([c]92[cH]3[c]24[c]5([cH]91)c1ccccc1c1c2cccc1)(C)C)[CH](=[CH]7[CH]8=[CH]6c1ccccc1)c1ccccc1
• Title of publication: Penultimate Effect in Ethylene-Styrene Copolymerization and the Discovery of Highly Active Ethylene-Styrene Catalysts with Increased Styrene Reactivity
• Authors of publication: Daniel J. Arriola; Marilyn Bokota; Richard E. Campbell; Jerzy Klosin; Robert E. LaPointe; O. David Redwine; Ravi B. Shankar; Francis J. Timmers; Khalil A. Abboud
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 7065 - 7076
• a: 14.282 ± 0.001 Å
• b: 14.388 ± 0.001 Å
• c: 16.505 ± 0.001 Å
• α: 68.603 ± 0.002°
• β: 82.91 ± 0.001°
• γ: 81.242 ± 0.002°
• Cell volume: 3112.5 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1389
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for significantly intense reflections: 0.0808
• Weighted residual factors for all reflections included in the refinement: 0.0946
• Goodness-of-fit parameter for all reflections included in the refinement: 0.971
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No