Information card for entry 4065310

Structure parameters

• Formula: C78 H64 Au F6 N3 O4 S2
• Calculated formula: C78 H63.5 Au F6 N3 O4 S2
• Title of publication: Influence of a Very BulkyN-Heterocyclic Carbene in Gold-Mediated Catalysis
• Authors of publication: Gómez-Suárez, Adrián; Ramón, Rubén S.; Songis, Olivier; Slawin, Alexandra M. Z.; Cazin, Catherine S. J.; Nolan, Steven P.
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 20
• Pages of publication: 5463
• a: 12.3872 ± 0.0019 Å
• b: 23.915 ± 0.004 Å
• c: 24.955 ± 0.003 Å
• α: 90°
• β: 91.101 ± 0.004°
• γ: 90°
• Cell volume: 7391.3 ± 1.9 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 7
• 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: 0.0784
• Residual factor for significantly intense reflections: 0.0598
• Weighted residual factors for significantly intense reflections: 0.1795
• Weighted residual factors for all reflections included in the refinement: 0.193
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No