Information card for entry 4066425

Structure parameters

• Formula: C39.5 H64 Au B Cl F4 N2 P
• Calculated formula: C39.5 H64 Au B Cl F4 N2 P
• SMILES: [Au](=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)[P](CCCC)(CCCC)CCCC.[B](F)(F)(F)[F-].C(Cl)Cl
• Title of publication: Expeditious Synthesis of [Au(NHC)(L)]+(NHC = N-Heterocyclic Carbene; L = Phosphine or NHC) Complexes†
• Authors of publication: Gaillard, Sylvain; Nun, Pierrick; Slawin, Alexandra M. Z.; Nolan, Steven P.
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 21
• Pages of publication: 5402
• a: 28.522 ± 0.005 Å
• b: 16.934 ± 0.003 Å
• c: 18.097 ± 0.003 Å
• α: 90°
• β: 92.817 ± 0.005°
• γ: 90°
• Cell volume: 8730 ± 3 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 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: 0.1234
• Residual factor for significantly intense reflections: 0.0999
• Weighted residual factors for significantly intense reflections: 0.2494
• Weighted residual factors for all reflections included in the refinement: 0.2694
• Goodness-of-fit parameter for all reflections included in the refinement: 1.148
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No