Information card for entry 7713471

Structure parameters

• Formula: C54 H71 Au Cl2 F3 N5 O3 S
• Calculated formula: C54 H71 Au Cl2 F3 N5 O3 S
• SMILES: [Au](=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)=C1N(C(NC(C)(C)C)=CN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C.ClCCl.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Gold complexes with remote-substituted amino N-heterocyclic carbenes
• Authors of publication: Nolan, Steven P.; Cavallo, Luigi; Cazin, Catherine; Dereli, Busra; Saab, Marina; Tzouras, Nikolaos V.; Van Hecke, Kristof; Vanden Broeck, Sofie; Ritacco, Ida; Vougioukalakis, Georgios C.; Danopoulos, Andreas; Braunstein, Pierre
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 11.4651 ± 0.0002 Å
• b: 15.0649 ± 0.0003 Å
• c: 17.5928 ± 0.0003 Å
• α: 79.173 ± 0.002°
• β: 72.683 ± 0.002°
• γ: 78.7 ± 0.002°
• Cell volume: 2817.31 ± 0.1 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0249
• Residual factor for significantly intense reflections: 0.0232
• Weighted residual factors for significantly intense reflections: 0.0567
• Weighted residual factors for all reflections included in the refinement: 0.0576
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No