Information card for entry 4113427

Structure parameters

• Formula: C26 H36 Si W
• Calculated formula: C26 H36 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: 8.599 ± 0.004 Å
• b: 11.415 ± 0.006 Å
• c: 11.722 ± 0.006 Å
• α: 90°
• β: 96.926 ± 0.014°
• γ: 90°
• Cell volume: 1142.2 ± 1 ų
• Cell temperature: 228 ± 2 K
• Ambient diffraction temperature: 228 ± 2 K
• Number of distinct elements: 4
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0507
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0599
• Weighted residual factors for all reflections included in the refinement: 0.0636
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No