Information card for entry 7059486

Structure parameters

• Chemical name: Mixed phosphine/thiocarbamoyloyrazoline Gold(I) complex
• Formula: C36 H36 Au F6 N3 O2 P2 S
• Calculated formula: C36 H36 Au F6 N3 O2 P2 S
• SMILES: [Au]([P](c1ccccc1)(c1ccccc1)c1ccccc1)[S]=C(N1N=C(CC1c1ccc(OC)cc1)c1ccccc1)N.[P](F)(F)(F)(F)(F)[F-].OC
• Title of publication: Harvesting greenish blue luminescence in gold(i) complexes and their application as promising bioactive molecules and cellular bioimaging agents
• Authors of publication: Favarin, Lis R. V.; Laranjeira, G. B.; Teixeira, Cristiane F. A.; Silva, Heveline; Micheletti, A. C.; Pizzuti, Lucas; Machulek Júnior, Amilcar; Caires, Anderson R. L.; Deflon, Victor M.; Pesci, Rafaela B. P.; Rocha, C. N. Lima; Correa, J. R.; Pinto, L. M. C.; Casagrande, Gleison Antônio
• Journal of publication: New Journal of Chemistry
• Year of publication: 2020
• Journal volume: 44
• Journal issue: 17
• Pages of publication: 6862 - 6871
• a: 15.73 ± 0.004 Å
• b: 14.896 ± 0.005 Å
• c: 16.543 ± 0.005 Å
• α: 90°
• β: 105.515 ± 0.01°
• γ: 90°
• Cell volume: 3735 ± 1.9 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0728
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.0958
• Weighted residual factors for all reflections included in the refinement: 0.1097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No