Information card for entry 7046722

Structure parameters

• Formula: C50 H69 N O2 Zr
• Calculated formula: C50 H69 N O2 Zr
• Title of publication: Hydrophosphination of alkenes and alkynes with primary phosphines catalyzed by zirconium complexes bearing aminophenolato ligands.
• Authors of publication: Zhang, Yu; Wang, Xinxin; Wang, Yaorong; Yuan, Dan; Yao, Yingming
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 27
• Pages of publication: 9090 - 9095
• a: 11.1352 ± 0.0004 Å
• b: 17.7158 ± 0.0008 Å
• c: 23.1421 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4565.2 ± 0.3 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1054
• Residual factor for significantly intense reflections: 0.0677
• Weighted residual factors for significantly intense reflections: 0.1567
• Weighted residual factors for all reflections included in the refinement: 0.1765
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No