Information card for entry 7059393

Structure parameters

• Formula: C24 H40 Au Cl3 N8 O4 S2
• Calculated formula: C24 H40 Au Cl3 N8 O4 S2
• 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: 10.2116 ± 0.0007 Å
• b: 11.6009 ± 0.0008 Å
• c: 14.6925 ± 0.001 Å
• α: 82.052 ± 0.002°
• β: 81.09 ± 0.002°
• γ: 72.743 ± 0.002°
• Cell volume: 1634.24 ± 0.19 ų
• Cell temperature: 101 ± 2 K
• Ambient diffraction temperature: 100.91 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0213
• Residual factor for significantly intense reflections: 0.0179
• Weighted residual factors for significantly intense reflections: 0.0386
• Weighted residual factors for all reflections included in the refinement: 0.0398
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No