Information card for entry 7034867

Structure parameters

• Formula: C35.5 H43 Au F3 N2 O3 P S
• Calculated formula: C32 H39 Au F3 N2 O3 P S
• SMILES: [Au]([P](c1ccccc1)(c1ccccc1)c1ccccc1)=C1N(C(=C(N1C(C)(C)C)C)C)C(C)(C)C.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Frustrated N-heterocyclic carbene-silylium ion Lewis pairs.
• Authors of publication: Silva Valverde, Miguel F.; Theuergarten, Eileen; Bannenberg, Thomas; Freytag, Matthias; Jones, Peter G.; Tamm, Matthias
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 20
• Pages of publication: 9400 - 9408
• a: 9.2711 ± 0.0005 Å
• b: 16.7779 ± 0.0008 Å
• c: 22.7298 ± 0.001 Å
• α: 90°
• β: 96.201 ± 0.004°
• γ: 90°
• Cell volume: 3514.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0743
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.0671
• Weighted residual factors for all reflections included in the refinement: 0.0746
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No