Information card for entry 4073259

Structure parameters

• Formula: C47 H27 Al Cr F36 N O8 P2
• Calculated formula: C47 H27 Al Cr F36 N O8 P2
• SMILES: [Cr]1([P](N(C(C)C)[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])(C#[O])(C#[O])C#[O].[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)OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F
• Title of publication: Ethylene Tetramerization with Cationic Chromium(I) Complexes
• Authors of publication: Rucklidge, Adam J.; McGuinness, David S.; Tooze, Robert P.; Slawin, Alexandra M. Z.; Pelletier, Jérémie D. A.; Hanton, Martin J.; Webb, Paul B.
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 10
• Pages of publication: 2782
• a: 14.7195 ± 0.0013 Å
• b: 25.217 ± 0.002 Å
• c: 16.4329 ± 0.0014 Å
• α: 90°
• β: 103.915 ± 0.003°
• γ: 90°
• Cell volume: 5920.6 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.2799
• Residual factor for significantly intense reflections: 0.2615
• Weighted residual factors for significantly intense reflections: 0.6143
• Weighted residual factors for all reflections included in the refinement: 0.6397
• Goodness-of-fit parameter for all reflections included in the refinement: 3.02
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No