Information card for entry 7709706

Structure parameters

• Formula: C49 H40.03 Au2 Cl4 F12 N3 O14
• Calculated formula: C49 H40 Au2 Cl4 F12 N3 O14
• 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: 11.978 ± 0.002 Å
• b: 14.129 ± 0.003 Å
• c: 16.804 ± 0.004 Å
• α: 86.73 ± 0.005°
• β: 82.867 ± 0.005°
• γ: 76.625 ± 0.004°
• Cell volume: 2744.1 ± 1 ų
• Cell temperature: 99.9 K
• Ambient diffraction temperature: 99.9 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: 0.1224
• Residual factor for significantly intense reflections: 0.0905
• Weighted residual factors for significantly intense reflections: 0.2123
• Weighted residual factors for all reflections included in the refinement: 0.233
• Goodness-of-fit parameter for all reflections included in the refinement: 1.286
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No