Information card for entry 4110652

Structure parameters

• Formula: C37 H13 B Cl0.5 F20 O Zr
• Calculated formula: C37 H13 B Cl0.502 F20 O Zr
• Title of publication: Nonchelated d0 Zirconium-Alkoxide-Alkene Complexes
• Authors of publication: Edward J. Stoebenau; Richard F. Jordan
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Pages of publication: 8162 - 8175
• a: 9.9 ± 0.002 Å
• b: 12.25 ± 0.003 Å
• c: 14.111 ± 0.003 Å
• α: 89.956 ± 0.004°
• β: 85.384 ± 0.004°
• γ: 87.814 ± 0.004°
• Cell volume: 1704.5 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0533
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.1001
• Weighted residual factors for all reflections included in the refinement: 0.1037
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No