Information card for entry 7130500

Structure parameters

• Formula: C37 H30 Au O P
• Calculated formula: C37 H30 Au O P
• SMILES: [Au]([P](c1c(cccc1)C(O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1
• 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: 9.5116 ± 0.0016 Å
• b: 12.37 ± 0.002 Å
• c: 12.454 ± 0.002 Å
• α: 91.29 ± 0.007°
• β: 98.003 ± 0.007°
• γ: 97.943 ± 0.007°
• Cell volume: 1435.8 ± 0.4 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0402
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.0635
• Weighted residual factors for all reflections included in the refinement: 0.0651
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No