Information card for entry 4078682

Structure parameters

• Formula: C35 H38 O12 Zn3
• Calculated formula: C35 H38 O12 Zn3
• SMILES: [Zn]12345[O]=C6C([O]1[Zn]1(CC)[O]=C7C=COC(=C7[O]1[Zn]([O]3C1=C(OC=CC1=[O]2)C)(CC)[O]5C1=C(OC=CC1=[O]4)C)C)=C(OC=C6)C.Cc1ccccc1
• 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: 10.95 ± 0.002 Å
• b: 11.432 ± 0.002 Å
• c: 15.432 ± 0.003 Å
• α: 72.36 ± 0.02°
• β: 71.55 ± 0.02°
• γ: 87.5 ± 0.02°
• Cell volume: 1743.4 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0536
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.0729
• Weighted residual factors for all reflections included in the refinement: 0.0766
• Goodness-of-fit parameter for all reflections included in the refinement: 0.914
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No