Information card for entry 4066623

Structure parameters

• Common name: in manuscript 5a
• Formula: C46 H50 Au2 F12 N8 O9.5 S4
• Calculated formula: C46 H50 Au2 F12 N8 O9.5 S4
• SMILES: [Au]1=C2N(C=CN2Cc2[n]([Au]=C3N(C=CN3Cc3[n]1cccc3)c1c(cc(cc1C)C)C)cccc2)c1c(cc(cc1C)C)C.N(=S([O-])(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F.N(=S([O-])(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F.O1CCCC1.O1CCCC1
• Title of publication: Synthesis, Reactivity, and Electrochemical Studies of Gold(I) and Gold(III) Complexes Supported by N-Heterocyclic Carbenes and Their Application in Catalysis
• Authors of publication: Pažický, Marek; Loos, Annette; Ferreira, Maria João; Serra, Daniel; Vinokurov, Nikolai; Rominger, Frank; Jäkel, Christoph; Hashmi, A. Stephen K.; Limbach, Michael
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 20
• Pages of publication: 4448 - 4458
• a: 13.0012 ± 0.0002 Å
• b: 13.5412 ± 0.0001 Å
• c: 16.9803 ± 0.0001 Å
• α: 91.306 ± 0.001°
• β: 91.222 ± 0.001°
• γ: 91.163 ± 0.001°
• Cell volume: 2987.31 ± 0.05 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0783
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.0907
• Weighted residual factors for all reflections included in the refinement: 0.101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No