Information card for entry 4078683

Structure parameters

• Formula: C17 H15 N O6 Zn
• Calculated formula: C17 H15 N O6 Zn
• SMILES: C12C=COC(=C1O[Zn]1([O]=2)([n]2ccccc2)[O]=C2C(=C(OC=C2)C)O1)C
• Title of publication: Zinc Complexes Supported by Maltolato Ligands: Synthesis, Structure, Solution Behavior, and Application in Ring-Opening Polymerization of Lactides
• Authors of publication: Petrus, Rafał; Sobota, Piotr
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 13
• Pages of publication: 4755
• a: 8.529 ± 0.003 Å
• b: 8.529 ± 0.003 Å
• c: 18.948 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1193.7 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 152
• Hermann-Mauguin space group symbol: P 31 2 1
• Hall space group symbol: P 31 2"
• Residual factor for all reflections: 0.0361
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0648
• Weighted residual factors for all reflections included in the refinement: 0.0661
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No