Information card for entry 4079504

Structure parameters

• Formula: C22 H27 Cl2 N2 O3 S2 Y
• Calculated formula: C22 H27 Cl2 N2 O3 S2 Y
• SMILES: [Y]12(Cl)(Cl)([N](=Cc3[n]1c1c(O2)cccc1cc3)c1c(cccc1C)C)([O]=S(C)C)[O]=S(C)C
• Title of publication: Chloroyttrium 2-(1-(Arylimino)alkyl)quinolin-8-olate Complexes: Synthesis, Characterization, and Catalysis of the Ring-Opening Polymerization of ε-Caprolactone
• Authors of publication: Zhang, Wenjuan; Liu, Shaofeng; Yang, Wenhong; Hao, Xiang; Glaser, Rainer; Sun, Wen-Hua
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 23
• Pages of publication: 8178
• a: 16.683 ± 0.003 Å
• b: 7.7392 ± 0.0015 Å
• c: 23.361 ± 0.005 Å
• α: 90°
• β: 106.68 ± 0.03°
• γ: 90°
• Cell volume: 2889.3 ± 1.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• 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: 0.0804
• Residual factor for significantly intense reflections: 0.0689
• Weighted residual factors for significantly intense reflections: 0.1512
• Weighted residual factors for all reflections included in the refinement: 0.1577
• Goodness-of-fit parameter for all reflections included in the refinement: 1.131
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No