Information card for entry 4124398

Structure parameters

• Formula: C71 H52 B F20 Fe O P Zr
• Calculated formula: C71 H52 B F20 Fe O P Zr
• Title of publication: Phosphido- and Amidozirconocene Cation-Based Frustrated Lewis Pair Chemistry.
• Authors of publication: Normand, Adrien T.; Daniliuc, Constantin G.; Wibbeling, Birgit; Kehr, Gerald; Le Gendre, Pierre; Erker, Gerhard
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Pages of publication: 150811081316009
• a: 14.417 ± 0.0005 Å
• b: 16.7451 ± 0.0006 Å
• c: 17.0896 ± 0.0006 Å
• α: 83.045 ± 0.001°
• β: 85.707 ± 0.001°
• γ: 65.299 ± 0.001°
• Cell volume: 3719.2 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0761
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.1144
• Weighted residual factors for all reflections included in the refinement: 0.1216
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No