Information card for entry 1552877

Structure parameters

• Formula: C41 H52 Au Cl2 N3
• Calculated formula: C41 H52 Au Cl2 N3
• SMILES: [Au](N1c2ccccc2N(c2c1cccc2)C)=C1N(c2c(C(C)C)cccc2C(C)C)C(C)(CC21C1CC3CC2CC(C1)C3)C.ClCCl
• 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: 10.4512 ± 0.0001 Å
• b: 18.0543 ± 0.0002 Å
• c: 38.7653 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7314.59 ± 0.14 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0302
• Residual factor for significantly intense reflections: 0.0266
• Weighted residual factors for significantly intense reflections: 0.0829
• Weighted residual factors for all reflections included in the refinement: 0.0851
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No