Information card for entry 7225276

Structure parameters

• Formula: C55 H79 N2 O4 Y
• Calculated formula: C55 H79 N2 O4 Y
• Title of publication: Cooperative rare earth metal‒zinc based heterometallic catalysts for copolymerization of CO2and cyclohexene oxide
• Authors of publication: Qin, Jie; Xu, Bin; Zhang, Yong; Yuan, Dan; Yao, Yingming
• Journal of publication: Green Chem.
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 15
• Pages of publication: 4270
• a: 15.2272 ± 0.0013 Å
• b: 14.1936 ± 0.0011 Å
• c: 24.434 ± 0.002 Å
• α: 90°
• β: 99.252 ± 0.002°
• γ: 90°
• Cell volume: 5212.2 ± 0.7 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1297
• Residual factor for significantly intense reflections: 0.0851
• Weighted residual factors for significantly intense reflections: 0.1648
• Weighted residual factors for all reflections included in the refinement: 0.189
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No