Information card for entry 4340068

Structure parameters

• Formula: C27 H54 Au3 N3 O3
• Calculated formula: C27 H54 Au3 N3 O3
• Title of publication: Molecular and electronic structure of cyclic trinuclear gold(i) carbeniate complexes: insights for structure/luminescence/conductivity relationships.
• Authors of publication: McDougald, Jr, Roy N; Chilukuri, Bhaskar; Jia, Huiping; Perez, Michael R.; Rabaâ, Hassan; Wang, Xiaoping; Nesterov, Vladimir N.; Cundari, Thomas R.; Gnade, Bruce E.; Omary, Mohammad A.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 14
• Pages of publication: 7485 - 7499
• a: 10.611 ± 0.005 Å
• b: 14.342 ± 0.006 Å
• c: 21.393 ± 0.009 Å
• α: 85.863 ± 0.006°
• β: 83.913 ± 0.005°
• γ: 87.78 ± 0.005°
• Cell volume: 3227 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1927
• Residual factor for significantly intense reflections: 0.0591
• Weighted residual factors for significantly intense reflections: 0.1162
• Weighted residual factors for all reflections included in the refinement: 0.1587
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No