Information card for entry 4073046

Structure parameters

• Formula: C16 H10 Al F27 O4
• Calculated formula: C16 H10 Al F27 O4
• SMILES: [Al](OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)(OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)(OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)[O](CC)CC
• 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: 9.91 ± 0.005 Å
• b: 16.63 ± 0.007 Å
• c: 16.28 ± 0.007 Å
• α: 90°
• β: 91.16 ± 0.02°
• γ: 90°
• Cell volume: 2682 ± 2 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: 0.2756
• Residual factor for significantly intense reflections: 0.1457
• Weighted residual factors for significantly intense reflections: 0.3103
• Weighted residual factors for all reflections included in the refinement: 0.3827
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No