Information card for entry 4112407

Structure parameters

• Formula: C58 H21 Al F28 Zr
• Calculated formula: C58 H21 Al F28 Zr
• SMILES: [Al](c1c(c(c(c(c1c1c(c(c(c(c1F)F)F)F)F)F)F)F)F)(c1c(c(c(c(c1c1c(c(c(c(c1F)F)F)F)F)F)F)F)F)(c1c(c(c(c(c1c1c(c(c(c(c1F)F)F)F)F)F)F)F)F)[F][Zr]123456789(C)[c]%10%11[c]1(cccc%10)[c]12[c]3(cccc1)[c]4%11C(C)(C)[c]15[cH]6[cH]7[cH]8[cH]91
• Title of publication: Marked Counteranion Effects on Single-Site Olefin Polymerization Processes. Correlations of Ion Pair Structure and Dynamics with Polymerization Activity, Chain Transfer, and Syndioselectivity
• Authors of publication: Ming-Chou Chen; John A. S. Roberts; Tobin J. Marks
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 4605 - 4625
• a: 16.4939 ± 0.001 Å
• b: 19.6187 ± 0.0012 Å
• c: 16.9722 ± 0.001 Å
• α: 90°
• β: 112.471 ± 0.001°
• γ: 90°
• Cell volume: 5075 ± 0.5 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• 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: 0.0818
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.1206
• Weighted residual factors for all reflections included in the refinement: 0.1374
• Goodness-of-fit parameter for all reflections included in the refinement: 0.981
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No