Information card for entry 4340066

Structure parameters

• Formula: C18 H36 Au3 N3 O3
• Calculated formula: C18 H36 Au3 N3 O3
• SMILES: [Au]1[N](=C([Au][N](=C([Au][N](=C1OC)CCCC)OC)CCCC)OC)CCCC
• 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: 22.7074 ± 0.0017 Å
• b: 9.0981 ± 0.0007 Å
• c: 23.2784 ± 0.0017 Å
• α: 90°
• β: 104.347 ± 0.001°
• γ: 90°
• Cell volume: 4659.2 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0424
• Residual factor for significantly intense reflections: 0.0272
• Weighted residual factors for significantly intense reflections: 0.055
• Weighted residual factors for all reflections included in the refinement: 0.0605
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No