Information card for entry 4079505

Structure parameters

• Formula: C23 H29 Cl2 N2 O3 S2 Y
• Calculated formula: C23 H29 Cl2 N2 O3 S2 Y
• SMILES: [Y]12(Cl)(Oc3c4[n]1c(ccc4ccc3)C(=[N]2c1c(cccc1C)C)C)(Cl)([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: 26.785 ± 0.005 Å
• b: 14.369 ± 0.003 Å
• c: 16.225 ± 0.003 Å
• α: 90°
• β: 121.89 ± 0.03°
• γ: 90°
• Cell volume: 5302 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0824
• Residual factor for significantly intense reflections: 0.0707
• Weighted residual factors for significantly intense reflections: 0.1833
• Weighted residual factors for all reflections included in the refinement: 0.1902
• Goodness-of-fit parameter for all reflections included in the refinement: 1.208
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No