Information card for entry 4113426

Structure parameters

• Formula: C21 H34 Si W
• Calculated formula: C21 H33 Si W
• Title of publication: Normal and Inverse Primary Kinetic Deuterium Isotope Effects for C-H Bond Reductive Elimination and Oxidative Addition Reactions of Molybdenocene and Tungstenocene Complexes: Evidence for Benzene σ-Complex Intermediates
• Authors of publication: David G. Churchill; Kevin E. Janak; Joshua S. Wittenberg; Gerard Parkin
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 1403 - 1420
• a: 10.257 ± 0.003 Å
• b: 14.744 ± 0.006 Å
• c: 13.261 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2005.5 ± 1.3 ų
• Cell temperature: 243 ± 2 K
• Ambient diffraction temperature: 243 ± 2 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.1317
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.1049
• Weighted residual factors for all reflections included in the refinement: 0.1266
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No