Information card for entry 1552882

Structure parameters

• Formula: C42 H53 Au N2
• Calculated formula: C42 H53 Au N2
• SMILES: [Au](N1c2c(C(C)(c3c1cccc3)C)cccc2)=C1N(c2c(C(C)C)cccc2C(C)C)C(CC21C1CC3CC2CC(C3)C1)(C)C
• 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: 34.2921 ± 0.0008 Å
• b: 13.9716 ± 0.0003 Å
• c: 17.0268 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8157.8 ± 0.3 ų
• Cell temperature: 140.1 ± 1 K
• Ambient diffraction temperature: 140.1 ± 1 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.057
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0799
• Weighted residual factors for all reflections included in the refinement: 0.0874
• 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