Information card for entry 4129814

Structure parameters

• Formula: C4.55 H7.09 Cl0.36 F1.27 N0 P0.18 Sb0.18
• Calculated formula: C4.54545 H7.09091 Cl0.363636 F1.27273 P0.181818 Sb0.181818
• SMILES: c1(ccc(cc1)F)[P+](C1CCCCC1)(C1CCCCC1)C1CCCCC1.C(Cl)Cl.F[Sb](F)(F)(F)([F-])F
• Title of publication: Phosphonium Formation by Facile Carbon-Phosphorus Reductive Elimination from Gold(III).
• Authors of publication: Kawai, Hiroyuki; Wolf, William J.; DiPasquale, Antonio G.; Winston, Matthew S.; Toste, F. Dean
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 2
• Pages of publication: 587 - 593
• a: 16.9362 ± 0.0005 Å
• b: 11.0662 ± 0.0003 Å
• c: 31.4144 ± 0.0009 Å
• α: 90°
• β: 97.226 ± 0.001°
• γ: 90°
• Cell volume: 5840.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0628
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.0988
• Weighted residual factors for all reflections included in the refinement: 0.1064
• 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