Information card for entry 4085134

Structure parameters

• Formula: C21 H16 Au F6 N3 O4 S2
• Calculated formula: C21 H16 Au F6 N3 O4 S2
• SMILES: [Au](N(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F)=C1N(C=CN1C)C1c2ccccc2C=Cc2ccccc12
• Title of publication: Synthesis and Characterization of Gold(I) Complexes of Dibenzotropylidene-Functionalized NHC Ligands (Trop-NHCs)
• Authors of publication: Brill, Marcel; Collado, Alba; Cordes, David B.; Slawin, Alexandra M. Z.; Vogt, Matthias; Grützmacher, Hansjörg; Nolan, Steven P.
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 1
• Pages of publication: 263
• a: 14.096 ± 0.0011 Å
• b: 8.0824 ± 0.0007 Å
• c: 21.8364 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2487.8 ± 0.4 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0236
• Residual factor for significantly intense reflections: 0.0218
• Weighted residual factors for significantly intense reflections: 0.0475
• Weighted residual factors for all reflections included in the refinement: 0.0477
• Goodness-of-fit parameter for all reflections included in the refinement: 0.907
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No