Information card for entry 4109475

Structure parameters

• Formula: C25 H33 N Si Ti
• Calculated formula: C25 H33 N Si Ti
• SMILES: [Ti]12345(N(C(C)(C)C)[Si]([c]62[cH]3[c]4([c]5([cH]61)c1ccccc1)c1ccccc1)(C)C)(C)C
• 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: 22.958 ± 0.002 Å
• b: 8.1979 ± 0.0006 Å
• c: 12.4332 ± 0.0009 Å
• α: 90°
• β: 97.321 ± 0.001°
• γ: 90°
• Cell volume: 2320.9 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0455
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0949
• Weighted residual factors for all reflections included in the refinement: 0.1011
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No