Information card for entry 4120594

Structure parameters

• Formula: C32 H27 Au Br2 P2
• Calculated formula: C32 H27 Au Br2 P2
• SMILES: c12c3cccc1C[P](c1ccccc1)(c1ccccc1)[Au]2([P](C3)(c1ccccc1)c1ccccc1)(Br)Br
• 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: 15.6992 ± 0.0009 Å
• b: 11.3526 ± 0.0006 Å
• c: 16.8558 ± 0.001 Å
• α: 90°
• β: 107.469 ± 0.002°
• γ: 90°
• Cell volume: 2865.6 ± 0.3 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: 0.0311
• Residual factor for significantly intense reflections: 0.0226
• Weighted residual factors for significantly intense reflections: 0.0461
• Weighted residual factors for all reflections included in the refinement: 0.0487
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No