Information card for entry 1505792

Structure parameters

• Formula: C76 H48 Al2 F30 O5 Zr
• Calculated formula: C76 H48 Al2 F30 O5 Zr
• SMILES: [Al]([O]([Al](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)C)(c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F.[Zr]123456789%10([O]=C(OC(C)C)C(CC(=C(O1)OC)C)(C)C)[cH]1[cH]2[c]23[c]4(cccc2)[c]51CC[c]16[cH]7[cH]8[c]29[c]%101cccc2.Cc1ccccc1
• Title of publication: Diastereospecific Ion-Pairing Polymerization of Functionalized Alkenes by Metallocene/Lewis Acid Hybrid Catalysts
• Authors of publication: Ning, Yalan; Chen, Eugene Y.-X.
• Journal of publication: Macromolecules
• Year of publication: 2006
• Journal volume: 39
• Journal issue: 21
• Pages of publication: 7204
• a: 10.353 ± 0.0006 Å
• b: 16.3085 ± 0.001 Å
• c: 21.7857 ± 0.0013 Å
• α: 83.888 ± 0.001°
• β: 80.796 ± 0.001°
• γ: 76.109 ± 0.001°
• Cell volume: 3515.9 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1276
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.0878
• Weighted residual factors for all reflections included in the refinement: 0.1078
• Goodness-of-fit parameter for all reflections included in the refinement: 0.867
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No