Information card for entry 7130502

Structure parameters

• Formula: C37.5 H31 Au Cl O P
• Calculated formula: C37.5 H31 Au Cl O P
• Title of publication: Augmenting metallobasicity to modulate gold hydrogen bonding
• Authors of publication: Maltz, Logan T.; Wilkins, Lewis C.; Gabbaï, François P.
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 18.98 ± 0.0003 Å
• b: 10.2291 ± 0.0001 Å
• c: 31.7739 ± 0.0003 Å
• α: 90°
• β: 101.418 ± 0.001°
• γ: 90°
• Cell volume: 6046.76 ± 0.13 ų
• Cell temperature: 110 ± 0.1 K
• Ambient diffraction temperature: 110 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0656
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0696
• Weighted residual factors for all reflections included in the refinement: 0.0831
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No