Information card for entry 1569289

Structure parameters

• Formula: C66 H70 Au2 N6 O
• Calculated formula: C62 H62 Au2 N6
• SMILES: [Au](=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)Cc1ccc(cc1)CN1C=CN(C1=[Au]n1c2ccccc2c2c1cccc2)c1c(cccc1C(C)C)C(C)C)n1c2c(cccc2)c2ccccc12
• Title of publication: Novel dinuclear NHC–gold(i)-amido complexes and their application in energy transfer photocatalysis
• Authors of publication: Ma, Xinyuan; Voloshkin, Vladislav A.; Martynova, Ekaterina A.; Beliš, Marek; Peng, Min; Villa, Marco; Tzouras, Nikolaos V.; Janssens, Wim; Van Hecke, Kristof; Ceroni, Paola; Nolan, Steven P.
• Journal of publication: Catalysis Science & Technology
• Year of publication: 2023
• Journal volume: 13
• Journal issue: 14
• Pages of publication: 4168 - 4175
• a: 12.4705 ± 0.0002 Å
• b: 14.3086 ± 0.0003 Å
• c: 17.1528 ± 0.0003 Å
• α: 103.775 ± 0.002°
• β: 95.912 ± 0.002°
• γ: 101.539 ± 0.002°
• Cell volume: 2875.84 ± 0.1 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0574
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.0823
• Weighted residual factors for all reflections included in the refinement: 0.0892
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No