Information card for entry 4085360

Structure parameters

• Formula: C29 H39 Au F6 N2 O4 S2
• Calculated formula: C29 H39 Au F6 N2 O4 S2
• SMILES: [Au](N(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F)=C1C2(C3CC4CC2CC(C3)C4)CC(N1c1c(cccc1C(C)C)C(C)C)(C)C
• Title of publication: Gold(I) and Gold(III) Complexes of Cyclic (Alkyl)(amino)carbenes.
• Authors of publication: Romanov, Alexander S.; Bochmann, Manfred
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 11
• Pages of publication: 2439 - 2454
• a: 10.6841 ± 0.0004 Å
• b: 11.7943 ± 0.0004 Å
• c: 14.4679 ± 0.0006 Å
• α: 75.259 ± 0.003°
• β: 83.293 ± 0.003°
• γ: 85.431 ± 0.003°
• Cell volume: 1748.68 ± 0.12 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 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: 0.0331
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.0775
• Weighted residual factors for all reflections included in the refinement: 0.0794
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No