Information card for entry 4119109

Structure parameters

• Formula: C32.5 H44 B Cl2 N6 Zr
• Calculated formula: C32.5 H44 B Cl2 N6 Zr
• Title of publication: Unusual Reactivity of Tris(pyrazolyl)borate Zirconium Benzyl Complexes
• Authors of publication: Lee, Han; Jordan, Richard F.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• Journal volume: 127
• Journal issue: 26
• Pages of publication: 9384 - 9385
• a: 20.044 ± 0.004 Å
• b: 16.076 ± 0.003 Å
• c: 20.135 ± 0.004 Å
• α: 90°
• β: 92.33 ± 0.03°
• γ: 90°
• Cell volume: 6483 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.056
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0766
• Weighted residual factors for all reflections included in the refinement: 0.081
• Goodness-of-fit parameter for all reflections included in the refinement: 0.962
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No