Information card for entry 1552881

Structure parameters

• Formula: C79 H96 Au2 Cl2 N4 O4 S2
• Calculated formula: C79 H96 Au2 Cl2 N4 O4 S2
• Title of publication: Carbene metal amide photoemitters: tailoring conformationally flexible amides for full color range emissions including white-emitting OLED.
• Authors of publication: Romanov, Alexander S.; Jones, Saul T. E.; Gu, Qinying; Conaghan, Patrick J.; Drummond, Bluebell H.; Feng, Jiale; Chotard, Florian; Buizza, Leonardo; Foley, Morgan; Linnolahti, Mikko; Credgington, Dan; Bochmann, Manfred
• Journal of publication: Chemical science
• Year of publication: 2020
• Journal volume: 11
• Journal issue: 2
• Pages of publication: 435 - 446
• a: 21.965 ± 0.0005 Å
• b: 16.1816 ± 0.0003 Å
• c: 20.6249 ± 0.0007 Å
• α: 90°
• β: 99.929 ± 0.003°
• γ: 90°
• Cell volume: 7220.9 ± 0.3 ų
• Cell temperature: 139.9 ± 0.6 K
• Ambient diffraction temperature: 139.9 ± 0.6 K
• Number of distinct elements: 7
• 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: 0.0718
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.1636
• Weighted residual factors for all reflections included in the refinement: 0.173
• Goodness-of-fit parameter for all reflections included in the refinement: 1.325
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No