Information card for entry 4085439

Structure parameters

• Formula: C25 H27 O P Zr
• Calculated formula: C25 H27 O 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: 7.6818 ± 0.0003 Å
• b: 15.2296 ± 0.0006 Å
• c: 18.2806 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2138.66 ± 0.14 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0433
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.0908
• Weighted residual factors for all reflections included in the refinement: 0.0925
• Goodness-of-fit parameter for all reflections included in the refinement: 1.157
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No