Information card for entry 7059392

Structure parameters

• Formula: C64 H106 Au2 I18 N16 O
• Calculated formula: C64 H106 Au2 I18 N16 O
• Title of publication: New homoleptic gold carbene complexes via Ag‒Au transmetalation: synthesis and application of [Au(diNHC)2]3+ cations as 1H-NMR and UV-vis halide sensors
• Authors of publication: Baron, Marco; Dall’Anese, Anna; Miolato, Alessandro; Cairoli, Maddalena L. C.; Di Marco, Valerio; Graiff, Claudia; Pöthig, Alexander; Tubaro, Cristina
• Journal of publication: New Journal of Chemistry
• Year of publication: 2020
• Journal volume: 44
• Journal issue: 14
• Pages of publication: 5343 - 5353
• a: 9.281 ± 0.003 Å
• b: 14.603 ± 0.004 Å
• c: 20.213 ± 0.006 Å
• α: 90°
• β: 90.385 ± 0.005°
• γ: 90°
• Cell volume: 2739.4 ± 1.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0708
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.1493
• Weighted residual factors for all reflections included in the refinement: 0.1562
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No