Information card for entry 4120593

Structure parameters

• Formula: C22 H16 Au I2 P
• Calculated formula: C22 H16 Au I2 P
• SMILES: c12cccc3cccc(c13)[P](c1ccccc1)(c1ccccc1)[Au]2(I)I
• Title of publication: Activation of Aryl Halides at Gold(I): Practical Synthesis of (P,C) Cyclometalated Gold(III) Complexes.
• Authors of publication: Guenther, Johannes; Mallet-Ladeira, Sonia; Estevez, Laura; Miqueu, Karinne; Amgoune, Abderrahmane; Bourissou, Didier
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 5
• Pages of publication: 1778 - 1781
• a: 15.3537 ± 0.0006 Å
• b: 9.0513 ± 0.0003 Å
• c: 16.4471 ± 0.0006 Å
• α: 90°
• β: 114 ± 0.002°
• γ: 90°
• Cell volume: 2088.06 ± 0.14 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• 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: 0.0484
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0902
• Weighted residual factors for all reflections included in the refinement: 0.0953
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No