Information card for entry 7223931

Structure parameters

• Formula: C47 H62 N2 O2 Zr
• Calculated formula: C47 H62 N2 O2 Zr
• Title of publication: Intramolecular hydroamination reactions catalyzed by zirconium complexes bearing bridged bis(phenolato) ligands
• Authors of publication: Zhang, Yu; Sun, Qiu; Wang, Yaorong; Yuan, Dan; Yao, Yingming; Shen, Qi
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 11.48 ± 0.002 Å
• b: 14.798 ± 0.003 Å
• c: 25.295 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4297.1 ± 1.4 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: 0.0523
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.1213
• Weighted residual factors for all reflections included in the refinement: 0.1262
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No