Information card for entry 4106741

Structure parameters

• Common name: (DIMes^Me)(AuMe)2
• Formula: C27 H34 Au2 N4
• Calculated formula: C27 H34 Au2 N4
• SMILES: [Au](=C1N(C=CN1CN1C(=[Au]C)N(C=C1)c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)C
• Title of publication: Two Metals Are Better Than One in the Gold Catalyzed Oxidative Heteroarylation of Alkenes
• Authors of publication: Ekaterina Tkatchouk; Neal P. Mankad; Diego Benitez; William A. Goddard; F. Dean Toste
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 14293 - 14300
• a: 39.063 ± 0.017 Å
• b: 9.791 ± 0.004 Å
• c: 16.102 ± 0.007 Å
• α: 90°
• β: 111.636 ± 0.005°
• γ: 90°
• Cell volume: 5725 ± 4 ų
• Cell temperature: 158 ± 2 K
• Ambient diffraction temperature: 158 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0716
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.0787
• Weighted residual factors for all reflections included in the refinement: 0.0901
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No