Information card for entry 7032702

Structure parameters

• Formula: C44 H38 F6 N4 O3 Zn
• Calculated formula: C44 H38 F6 N4 O3 Zn
• SMILES: [Zn]1234(OC(=CC(=[N]4c4c5[n]3c(ccc5ccc4)C)C(F)(F)F)c3ccccc3)OC(=CC(=[N]1c1c3[n]2c(ccc3ccc1)C)C(F)(F)F)c1ccccc1.O(CC)CC
• Title of publication: Synthesis and structures of bis-ligated zinc complexes supported by tridentate ketoimines that initiate l-lactide polymerization.
• Authors of publication: Gerling, Kimberly A.; Rezayee, Nomaan M.; Rheingold, Arnold L.; Green, David B.; Fritsch, Joseph M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 43
• Pages of publication: 16498 - 16508
• a: 11.8222 ± 0.0006 Å
• b: 14.452 ± 0.0008 Å
• c: 23.0665 ± 0.0013 Å
• α: 90°
• β: 93.491 ± 0.001°
• γ: 90°
• Cell volume: 3933.7 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0489
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.1052
• Weighted residual factors for all reflections included in the refinement: 0.1139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No