Information card for entry 1567778

Structure parameters

• Formula: C29 H29 Cl2 N2 P Zn
• Calculated formula: C29 H29 Cl2 N2 P Zn
• SMILES: [Zn]1(Cl)(Cl)[n]2c3C([NH]1CCP(c1ccccc1)c1ccccc1)CCCc3ccc2c1ccccc1
• Title of publication: Zinc 8-aminotrihydroquinolines appended with pendant N-diphenylphosphinoethyl arms as exceptionally active catalysts for the ROP of ε-CL
• Authors of publication: Cao, Furong; Wang, Yun; Wang, Xing; Zhang, Wenjuan; Solan, Gregory A.; Wang, Rui; Ma, Yanping; Hao, Xiang; Sun, Wen-Hua
• Journal of publication: Catalysis Science & Technology
• Year of publication: 2022
• Journal volume: 12
• Journal issue: 22
• Pages of publication: 6687 - 6703
• a: 14.5983 ± 0.0001 Å
• b: 11.3593 ± 0.0001 Å
• c: 16.4355 ± 0.0001 Å
• α: 90°
• β: 101.497 ± 0.001°
• γ: 90°
• Cell volume: 2670.76 ± 0.04 ų
• Cell temperature: 170 ± 0.1 K
• Ambient diffraction temperature: 170 ± 0.1 K
• Number of distinct elements: 6
• 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: 0.0342
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0893
• Weighted residual factors for all reflections included in the refinement: 0.0907
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No