Information card for entry 7042638

Structure parameters

• Formula: C80 H106 K2 N6 O2
• Calculated formula: C80 H106 K2 N6 O2
• SMILES: [K]123[O](c4c(C[N]2(Cc2ccccc2N(C)C)CC[N]3(CC)CC)cc(cc4C(C)(C)c2ccccc2)C(C)(C)c2ccccc2)[K]23[O]1c1c(cc(cc1C[N]2(Cc1ccccc1N(C)C)CC[N]3(CC)CC)C(C)(C)c1ccccc1)C(C)(C)c1ccccc1
• Title of publication: Potassium complexes supported by monoanionic tetradentate amino-phenolate ligands: synthesis, structure and catalysis in ring-opening polymerization of rac-lactide
• Authors of publication: Yao, Chenhui; Yang, Yang; Xu, Shaoan; ma, haiyan
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 23.1335 ± 0.0015 Å
• b: 13.8361 ± 0.0009 Å
• c: 24.8293 ± 0.0017 Å
• α: 90°
• β: 100.348 ± 0.001°
• γ: 90°
• Cell volume: 7818 ± 0.9 ų
• Cell temperature: 130 K
• Ambient diffraction temperature: 130 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: 0.0973
• Residual factor for significantly intense reflections: 0.0734
• Weighted residual factors for significantly intense reflections: 0.1969
• Weighted residual factors for all reflections included in the refinement: 0.227
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No