Information card for entry 4115764

Structure parameters

• Common name: Cp*2ZrHF
• Formula: C20 H30 F Zr
• Calculated formula: C20 H30 F Zr
• Title of publication: Aliphatic and Aromatic Carbon-Fluorine Bond Activation with Cp*2ZrH2: Mechanisms of Hydrodefluorination
• Authors of publication: Bradley M. Kraft; Rene J. Lachicotte; William D. Jones
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2001
• Journal volume: 123
• Pages of publication: 10973 - 10979
• a: 15.4715 ± 0.0007 Å
• b: 15.6123 ± 0.0007 Å
• c: 15.7459 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3803.4 ± 0.3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0593
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for all reflections: 0.1231
• Weighted residual factors for significantly intense reflections: 0.1174
• Goodness-of-fit parameter for all reflections: 1.004
• Goodness-of-fit parameter for significantly intense reflections: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No