Information card for entry 4347097

Structure parameters

• Formula: C62 H60 Au2 Br2 N8 O2
• Calculated formula: C62 H52 Au2 Br2 N8 O2
• SMILES: [Au](=C1N(c2c(N1Cc1ccccc1)cccc2)CCN1c2ccccc2N(Cc2ccccc2)C1=[Au]1)=C2N(CCN3C=1N(c1c3cccc1)Cc1ccccc1)c1c(N2Cc2ccccc2)cccc1.[Br-].[Br-].CO.OC
• Title of publication: Aurophilicity in Action: Fine-Tuning the Gold(I)-Gold(I) Distance in the Excited State To Modulate the Emission in a Series of Dinuclear Homoleptic Gold(I)-NHC Complexes.
• Authors of publication: Penney, Alexander A.; Sizov, Vladimir V.; Grachova, Elena V.; Krupenya, Dmitry V.; Gurzhiy, Vladislav V.; Starova, Galina L.; Tunik, Sergey P.
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 10
• Pages of publication: 4720 - 4732
• a: 19.9551 ± 0.0005 Å
• b: 20.196 ± 0.0004 Å
• c: 27.3545 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11024.2 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 41
• Hermann-Mauguin space group symbol: A e a 2
• Hall space group symbol: A 2 -2ab
• Residual factor for all reflections: 0.1003
• Residual factor for significantly intense reflections: 0.0971
• Weighted residual factors for significantly intense reflections: 0.2324
• Weighted residual factors for all reflections included in the refinement: 0.2413
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No