Information card for entry 7716031

Structure parameters

• Formula: C59 H77 Au F6 N3 O P2 S3
• Calculated formula: C59 H77 Au F6 N3 O P2 S3
• Title of publication: Coordination of azol(in)ium dithiocarboxylate ligands to Au(III): unexpected formation of a novel family of cyclometallated Au(III) complexes, DFT calculations and catalytic studies.
• Authors of publication: Pérez-Ramos, Paula; Mateo, María A; Elorriaga, David; García-Vivó, Daniel; Soengas, Raquel G.; Rodríguez-Solla, Humberto
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 22
• Pages of publication: 9433 - 9440
• a: 9.3336 ± 0.0014 Å
• b: 30.361 ± 0.004 Å
• c: 21.123 ± 0.003 Å
• α: 90°
• β: 98.283 ± 0.005°
• γ: 90°
• Cell volume: 5923.3 ± 1.5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0372
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0733
• Weighted residual factors for all reflections included in the refinement: 0.0749
• Goodness-of-fit parameter for all reflections included in the refinement: 1.148
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No