Information card for entry 4085445

Structure parameters

• Formula: C50 H28 B F20 O2 P Zr
• Calculated formula: C50 H28 B F20 O2 P Zr
• Title of publication: Frustrated Lewis Pair Behavior of [Cp2ZrOCR2CH2PPh2]+Cations
• Authors of publication: Xu, Xin; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 11
• Pages of publication: 2655
• a: 10.7594 ± 0.0002 Å
• b: 15.3845 ± 0.0003 Å
• c: 15.5982 ± 0.0004 Å
• α: 117.093 ± 0.001°
• β: 90.709 ± 0.001°
• γ: 90.033 ± 0.001°
• Cell volume: 2298.39 ± 0.09 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.1069
• Residual factor for significantly intense reflections: 0.0758
• Weighted residual factors for significantly intense reflections: 0.1411
• Weighted residual factors for all reflections included in the refinement: 0.1601
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No