Information card for entry 1568009

Structure parameters

• Formula: C37 H26 B F4 O P
• Calculated formula: C37 H26 B F4 O P
• SMILES: [P+]1(C2(c3ccccc3Oc3ccccc23)c2ccc3c4c(ccc1c24)CC3)(c1ccccc1)c1ccccc1.[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: 8.0558 ± 0.0004 Å
• b: 13.0237 ± 0.0006 Å
• c: 13.3743 ± 0.0006 Å
• α: 89.998 ± 0.001°
• β: 86.084 ± 0.001°
• γ: 84.721 ± 0.001°
• Cell volume: 1393.94 ± 0.11 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0734
• Residual factor for significantly intense reflections: 0.0592
• Weighted residual factors for significantly intense reflections: 0.1518
• Weighted residual factors for all reflections included in the refinement: 0.1621
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No