Information card for entry 4102750

Structure parameters

• Formula: C89 H131 N4 O2 Si4 Zr4
• Calculated formula: C89 H131 N4 O2 Si4 Zr4
• Title of publication: Carbon Monoxide-Induced Dinitrogen Cleavage with Group 4 Metallocenes: Reaction Scope and Coupling to N-H Bond Formation and CO Deoxygenation
• Authors of publication: Donald J. Knobloch; Emil Lobkovsky; Paul J. Chirik
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 10553 - 10564
• a: 10.9031 ± 0.0012 Å
• b: 13.796 ± 0.0016 Å
• c: 16.365 ± 0.002 Å
• α: 68.06 ± 0.004°
• β: 80.456 ± 0.006°
• γ: 69.609 ± 0.005°
• Cell volume: 2138.5 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1629
• Residual factor for significantly intense reflections: 0.0662
• Weighted residual factors for significantly intense reflections: 0.1512
• Weighted residual factors for all reflections included in the refinement: 0.2008
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No