Information card for entry 7022605

Structure parameters

• Formula: C32 H39 Cl2 F3 N2 O2 Zn
• Calculated formula: C32 H39 Cl2 F3 N2 O2 Zn
• SMILES: [Zn]12(Oc3c(cccc3C(C)(C)C)C(C)(C)C)OC(=CC(=[N]1c1cccc3ccc[n]2c13)C(F)(F)F)C(C)(C)C.ClCCl
• Title of publication: Synthesis and structures of tridentate ketoiminate zinc complexes bearing trifluoromethyl substituents that act as L-lactide ring opening polymerization initiators.
• Authors of publication: Rezayee, Nomaan M.; Gerling, Kimberly A.; Rheingold, Arnold L.; Fritsch, Joseph M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 15
• Pages of publication: 5573 - 5586
• a: 9.975 ± 0.001 Å
• b: 20.603 ± 0.002 Å
• c: 15.6453 ± 0.0015 Å
• α: 90°
• β: 95.171 ± 0.004°
• γ: 90°
• Cell volume: 3202.3 ± 0.5 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 7
• 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: 0.0498
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.1068
• Weighted residual factors for all reflections included in the refinement: 0.1119
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No