Information card for entry 1568007

Structure parameters

• Formula: C39 H31 Au B Cl3 F4 N P
• Calculated formula: C39 H31 Au B Cl3 F4 N P
• SMILES: [Au](Cl)[P](c1ccc2c3c(ccc(c4c5ccccc5[n+](c5ccccc45)C)c13)CC2)(c1ccccc1)c1ccccc1.ClCCl.[B](F)(F)(F)[F-]
• Title of publication: Placing gold on a π±surface: ligand design and impact on reactivity
• Authors of publication: Liu, Wei-Chun; Gabbaï, François P.
• Journal of publication: Chemical Science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 2
• Pages of publication: 277 - 283
• a: 10.796 ± 0.002 Å
• b: 12.644 ± 0.003 Å
• c: 12.984 ± 0.003 Å
• α: 86.86 ± 0.03°
• β: 86.71 ± 0.03°
• γ: 79.67 ± 0.03°
• Cell volume: 1739 ± 0.7 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0596
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.0802
• Weighted residual factors for all reflections included in the refinement: 0.0858
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No