Information card for entry 1568006

Structure parameters

• Formula: C38 H29 B F4.03 N P
• Calculated formula: C38 H29 B F3.949 N P
• 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: 9.0075 ± 0.0006 Å
• b: 15.4256 ± 0.0007 Å
• c: 20.8849 ± 0.0016 Å
• α: 90°
• β: 93.52 ± 0.002°
• γ: 90°
• Cell volume: 2896.4 ± 0.3 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 6
• 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: 0.1432
• Residual factor for significantly intense reflections: 0.0619
• Weighted residual factors for significantly intense reflections: 0.1245
• Weighted residual factors for all reflections included in the refinement: 0.1543
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No