Information card for entry 4119788

Structure parameters

• Formula: C19 H20 Au Br2 Cl N2
• Calculated formula: C19 H20 Au Br2 Cl N2
• SMILES: C1(=[Au]Cl)N(CCN1c1c(cc(Br)cc1C)C)c1c(cc(Br)cc1C)C
• Title of publication: Addressable Carbene Anchors for Gold Surfaces
• Authors of publication: Aleksandr V. Zhukhovitskiy; Michael G. Mavros; Troy Van Voorhis; Jeremiah A. Johnson
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 7418 - 7421
• a: 14.789 ± 0.0014 Å
• b: 9.76 ± 0.0009 Å
• c: 14.6418 ± 0.0014 Å
• α: 90°
• β: 104.674 ± 0.002°
• γ: 90°
• Cell volume: 2044.5 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0448
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.1095
• Weighted residual factors for all reflections included in the refinement: 0.1134
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No