Information card for entry 4073045

Structure parameters

• Formula: C78 H6 Al2 F60 O6
• Calculated formula: C78 H6 Al2 F60 O6
• SMILES: C(c1c(c(c(F)c(c1F)F)F)F)(c1c(c(c(F)c(c1F)F)F)F)O[Al]1(OC(c2c(c(c(c(c2F)F)F)F)F)c2c(c(c(c(c2F)F)F)F)F)[O](C(c2c(c(c(c(c2F)F)F)F)F)c2c(c(c(c(c2F)F)F)F)F)[Al](OC(c2c(c(c(c(c2F)F)F)F)F)c2c(F)c(c(c(c2F)F)F)F)(OC(c2c(c(c(c(c2F)F)F)F)F)c2c(c(c(c(c2F)F)F)F)F)[O]1C(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F
• Title of publication: Cocatalyst Influence in Selective Oligomerization: Effect on Activity, Catalyst Stability, and 1-Hexene/1-Octene Selectivity in the Ethylene Trimerization and Tetramerization Reaction
• Authors of publication: McGuinness, David S.; Rucklidge, Adam J.; Tooze, Robert P.; Slawin, Alexandra M. Z.
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 10
• Pages of publication: 2561
• a: 14.526 ± 0.003 Å
• b: 13.99 ± 0.003 Å
• c: 18.153 ± 0.004 Å
• α: 90°
• β: 92.314 ± 0.01°
• γ: 90°
• Cell volume: 3686 ± 1.4 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 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: 0.182
• Residual factor for significantly intense reflections: 0.1127
• Weighted residual factors for significantly intense reflections: 0.2462
• Weighted residual factors for all reflections included in the refinement: 0.2985
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No