Information card for entry 7042637

Structure parameters

• Formula: C46 H64 K2 N2 O6
• Calculated formula: C46 H64 K2 N2 O6
• SMILES: [K]123[O](C)c4ccccc4CN(CC[O]2C)Cc2cc(C)cc(C(C)(C)C)c2[O]1[K]124[O](C)c5ccccc5C[N]2(Cc2c([O]31)c(cc(c2)C)C(C)(C)C)CC[O]4C
• 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: 14.703 ± 0.002 Å
• b: 15.78 ± 0.002 Å
• c: 19.883 ± 0.003 Å
• α: 90°
• β: 98.66 ± 0.003°
• γ: 90°
• Cell volume: 4560.5 ± 1.1 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: 0.0926
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for significantly intense reflections: 0.1404
• Weighted residual factors for all reflections included in the refinement: 0.1634
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No