Information card for entry 4113107

Structure parameters

• Formula: C37 H38 N2 Si Zr
• Calculated formula: C37 H38 N2 Si Zr
• Title of publication: Enantioselective Synthesis of ansa-Zirconocenes
• Authors of publication: Matthew D. LoCoco; Richard F. Jordan
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 13918 - 13919
• a: 15.041 ± 0.003 Å
• b: 11.401 ± 0.002 Å
• c: 11.289 ± 0.002 Å
• α: 90°
• β: 117.92 ± 0.03°
• γ: 90°
• Cell volume: 1710.5 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0396
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0891
• Weighted residual factors for all reflections included in the refinement: 0.0895
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No