Information card for entry 4066421

Structure parameters

• Formula: C44 H62 Au B Cl6 F4 N4
• Calculated formula: C44 H62 Au B Cl6 F4 N4
• SMILES: [Au](=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)=C1N(C=CN1C1CCCCC1)C1CCCCC1.[B](F)(F)(F)[F-].C(Cl)(Cl)Cl.ClC(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: 12.701 ± 0.002 Å
• b: 14.023 ± 0.003 Å
• c: 15.771 ± 0.003 Å
• α: 90.955 ± 0.01°
• β: 105.684 ± 0.008°
• γ: 108.139 ± 0.007°
• Cell volume: 2554.3 ± 0.9 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 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: 0.0614
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.1173
• Weighted residual factors for all reflections included in the refinement: 0.124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No