Information card for entry 1569290

Structure parameters

• Chemical name: XM487-2
• Formula: C56 H50 Au2 N6
• Calculated formula: C56 H50 Au2 N6
• 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: 27.2565 ± 0.0003 Å
• b: 17.0998 ± 0.0002 Å
• c: 52.008 ± 0.0006 Å
• α: 90°
• β: 101.377 ± 0.001°
• γ: 90°
• Cell volume: 23763.6 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0842
• Residual factor for significantly intense reflections: 0.0583
• Weighted residual factors for significantly intense reflections: 0.0932
• Weighted residual factors for all reflections included in the refinement: 0.1014
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No