Information card for entry 7709704

Structure parameters

• Formula: C33 H20 Au2 Cl2 F12 N4 O12
• Calculated formula: C33 H20 Au2 Cl2 F12 N4 O12
• Title of publication: Synthesis of substituted (N,C) and (N,C,C) Au(iii) complexes: the influence of sterics and electronics on cyclometalation reactions
• Authors of publication: Hylland, Knut T.; Schmidtke, Inga L.; Wragg, David S.; Nova, Ainara; Tilset, Mats
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 7.899 ± 0.0004 Å
• b: 13.1289 ± 0.0006 Å
• c: 18.91 ± 0.0009 Å
• α: 90°
• β: 101.648 ± 0.001°
• γ: 90°
• Cell volume: 1920.68 ± 0.16 ų
• Cell temperature: 100.1 K
• Ambient diffraction temperature: 100.1 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0273
• Residual factor for significantly intense reflections: 0.0216
• Weighted residual factors for significantly intense reflections: 0.0474
• Weighted residual factors for all reflections included in the refinement: 0.0492
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No