Information card for entry 4078413

Structure parameters

• Formula: C35 H40 Cl2 N2 O2 Zn
• Calculated formula: C35 H40 Cl2 N2 O2 Zn
• SMILES: C(Cl)Cl.[Zn]12(OC(=CC(=[N]1c1cccc3c1[n]2c(cc3)c1ccccc1)C)C)Oc1c(cccc1C(C)(C)C)C(C)(C)C
• Title of publication: Synthesis and Structures of Tridentate Ketoiminate Zinc Complexes That Act Asl-Lactide Ring-Opening Polymerization Catalysts
• Authors of publication: Roberts, Courtney C.; Barnett, Brandon R.; Green, David B.; Fritsch, Joseph M.
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 11
• Pages of publication: 4133
• a: 13.19 ± 0.005 Å
• b: 15.909 ± 0.006 Å
• c: 16.342 ± 0.006 Å
• α: 102.805 ± 0.004°
• β: 93.256 ± 0.003°
• γ: 94.205 ± 0.004°
• Cell volume: 3325 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0777
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1043
• Weighted residual factors for all reflections included in the refinement: 0.115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No