Information card for entry 4340065

Structure parameters

• Formula: C21 H36 Au3 N3 O3
• Calculated formula: C21 H36 Au3 N3 O3
• SMILES: [Au]1C(OC)=[N](C2CCCC2)[Au]C(OC)=[N](C2CCCC2)[Au]C(=[N]1C1CCCC1)OC
• 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: 9.0763 ± 0.0011 Å
• b: 12.0289 ± 0.0015 Å
• c: 12.6926 ± 0.0016 Å
• α: 62.098 ± 0.002°
• β: 85.009 ± 0.002°
• γ: 72.6 ± 0.002°
• Cell volume: 1166.3 ± 0.3 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: 0.0804
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.0721
• Weighted residual factors for all reflections included in the refinement: 0.0857
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No