Information card for entry 4122489

Structure parameters

• Formula: C62 H52 B F20 Hf O2 P S Si
• Calculated formula: C62 H52 B F20 Hf O2 P S Si
• Title of publication: Formation of unsaturated vicinal zr(+)/p frustrated lewis pairs by the unique 1,1-carbozirconation reactions.
• Authors of publication: Xu, Xin; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 35
• Pages of publication: 12431 - 12443
• a: 12.6158 ± 0.0001 Å
• b: 15.4455 ± 0.0002 Å
• c: 19.6719 ± 0.0002 Å
• α: 103.71 ± 0.001°
• β: 98.041 ± 0.001°
• γ: 111.153 ± 0.001°
• Cell volume: 3363.88 ± 0.07 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0375
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0939
• Weighted residual factors for all reflections included in the refinement: 0.0961
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No