Information card for entry 7716029

Structure parameters

• Formula: C92 H122 Au2 Cl2 F12 N6 O3 P4 S6
• Calculated formula: C92 H122 Au2 Cl2 F12 N6 O3 P4 S6
• 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: 12.6165 ± 0.0005 Å
• b: 13.2076 ± 0.0005 Å
• c: 17.0154 ± 0.0006 Å
• α: 73.469 ± 0.002°
• β: 71.998 ± 0.001°
• γ: 74.327 ± 0.002°
• Cell volume: 2532.93 ± 0.17 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0243
• Residual factor for significantly intense reflections: 0.022
• Weighted residual factors for significantly intense reflections: 0.0546
• Weighted residual factors for all reflections included in the refinement: 0.0558
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No