Information card for entry 4111469

Structure parameters

• Formula: C27 H33 N Zr
• Calculated formula: C27 H33 N Zr
• Title of publication: Rearrangements and Stereomutations of Metallacycles Derived from Allenes and Imidozirconium Complexes
• Authors of publication: Forrest E. Michael; Andrew P. Duncan; Zachary K. Sweeney; Robert G. Bergman
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• Journal volume: 127
• Pages of publication: 1752 - 1764
• a: 16.713 ± 0.01 Å
• b: 7.98 ± 0.005 Å
• c: 16.138 ± 0.009 Å
• α: 90°
• β: 92.41 ± 0.01°
• γ: 90°
• Cell volume: 2150 ± 2 ų
• Cell temperature: 143.2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for all reflections included in the refinement: 0.0479
• Goodness-of-fit parameter for all reflections included in the refinement: 1.39
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No