Information card for entry 7034868

Structure parameters

• Formula: C33 H39 Au F6 N3 O4 P S2
• Calculated formula: C33 H39 Au F6 N3 O4 P S2
• SMILES: [Au]([P](c1ccccc1)(c1ccccc1)c1ccccc1)=C1N(C(=C(N1C(C)(C)C)C)C)C(C)(C)C.C(S(=O)(=O)N=S([O-])(=O)C(F)(F)F)(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: 13.3594 ± 0.0004 Å
• b: 14.4701 ± 0.0005 Å
• c: 18.7666 ± 0.0006 Å
• α: 90°
• β: 90.246 ± 0.003°
• γ: 90°
• Cell volume: 3627.8 ± 0.2 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0694
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.061
• Weighted residual factors for all reflections included in the refinement: 0.0703
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No