Information card for entry 1572397

Structure parameters

• Formula: C25 H24 Au O P
• Calculated formula: C25 H24 Au O P
• Title of publication: Structure-property relationship of a complex photoluminescent arylacetylide-gold(I) compound. I: a pressure-induced phase transformation caught in the act.
• Authors of publication: Jastrzębska, Róża; Poręba, Tomasz; Cova, Federico; Tchoń, Daniel M; Makal, Anna
• Journal of publication: IUCrJ
• Year of publication: 2024
• Journal volume: 11
• Journal issue: 5
• a: 16.13 ± 0.04 Å
• b: 6.7304 ± 0.0009 Å
• c: 18.096 ± 0.003 Å
• α: 90°
• β: 97.93 ± 0.08°
• γ: 90°
• Cell volume: 1946 ± 5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Ambient diffracton pressure: 800000 kPa
• Sample pressure history: Pressurized to 0.8 GPa and left to stabilize over 0.5 hours.
• Number of distinct elements: 5
• 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: 0.4117
• Residual factor for significantly intense reflections: 0.1721
• Weighted residual factors for significantly intense reflections: 0.3743
• Weighted residual factors for all reflections included in the refinement: 0.4834
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.41004 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No