Information card for entry 7059388

Structure parameters

• Formula: C42 H44 Au B2 Br F8 N12 O
• Calculated formula: C42 H44 Au B2 Br F8 N12 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: 12.4565 ± 0.0005 Å
• b: 12.7075 ± 0.0007 Å
• c: 15.2901 ± 0.0009 Å
• α: 95.188 ± 0.005°
• β: 100.081 ± 0.004°
• γ: 92.521 ± 0.004°
• Cell volume: 2368.7 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0626
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.1389
• Weighted residual factors for all reflections included in the refinement: 0.1487
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No