Information card for entry 7244849

Structure parameters

• Formula: C5 H4 Au Br3 F N
• Calculated formula: C5 H4 Au Br3 F N
• SMILES: [Au](Br)(Br)(Br)[n]1cc(ccc1)F
• Title of publication: Expanding the toolbox of coinage bond: Adducts involving new gold(III) derivatives and bioactive molecules
• Authors of publication: Pizzi, Andrea; Calabrese, Miriam; Daolio, Andrea; Ursini, Maurizio; Frontera, Antonio; Resnati, Giuseppe
• Journal of publication: CrystEngComm
• Year of publication: 2022
• a: 4.1948 ± 0.0004 Å
• b: 13.8237 ± 0.0014 Å
• c: 16.8348 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 976.21 ± 0.17 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0393
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.0697
• Weighted residual factors for all reflections included in the refinement: 0.0719
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No