Information card for entry 4350220

Structure parameters

• Formula: C66 H72 F8 N4 O5 S2 Zn2
• Calculated formula: C66 H72 F8 N4 O5 S2 Zn2
• SMILES: O1[Zn]23[O]=S(O[Zn]4([O]=S1C)N(c1c(C=[N]4c4c(cc(c5c(c6cc(c([N]3=Cc3c(N2c2c(cccc2C)C)c(c(c(c3F)F)F)F)c(c6)C(C)C)C(C)C)cccc5)cc4C(C)C)C(C)C)c(c(c(c1F)F)F)F)c1c(cccc1C)C)C.CCOCC
• Title of publication: Bimetallic fluorine-substituted anilido-aldimine zinc complexes for CO2/(cyclohexene oxide) copolymerization.
• Authors of publication: Bok, Taekki; Yun, Hoseop; Lee, Bun Yeoul
• Journal of publication: Inorganic chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 10
• Pages of publication: 4228 - 4237
• a: 10.983 ± 0.004 Å
• b: 21.099 ± 0.006 Å
• c: 28.304 ± 0.01 Å
• α: 90°
• β: 100.955 ± 0.012°
• γ: 90°
• Cell volume: 6439 ± 4 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 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: 0.2036
• Residual factor for significantly intense reflections: 0.1041
• Weighted residual factors for significantly intense reflections: 0.2212
• Weighted residual factors for all reflections included in the refinement: 0.2742
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No