Information card for entry 4111749

Structure parameters

• Formula: C28 H63 Hg0.5 Mo N O2 Si2
• Calculated formula: C28 H63 Hg0.5 Mo N O2 Si2
• Title of publication: 3-Center-4-Electron Bonding in [(silox)2MoNtBu]2(μ-Hg) Controls Reactivity while Frontier Orbitals Permit a Dimolybdenum π-Bond Energy Estimate
• Authors of publication: Devon C. Rosenfeld; Peter T. Wolczanski; Khaldoon A. Barakat; Corneliu Buda; Thomas R. Cundari
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• Journal volume: 127
• Pages of publication: 8262 - 8263
• a: 13.922 ± 0.003 Å
• b: 15.656 ± 0.004 Å
• c: 16.346 ± 0.004 Å
• α: 90°
• β: 93.357 ± 0.005°
• γ: 90°
• Cell volume: 3556.7 ± 1.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.068
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0805
• Weighted residual factors for all reflections included in the refinement: 0.0887
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No