Information card for entry 1572398

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: 16.0966 ± 0.0004 Å
• b: 6.6284 ± 0.00013 Å
• c: 17.9473 ± 0.0014 Å
• α: 90°
• β: 97.886 ± 0.006°
• γ: 90°
• Cell volume: 1896.77 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Ambient diffracton pressure: 1100000 ± 50000 kPa
• Sample pressure history: pressurized to 1.1 GPa and left to stabilize over 20 min.
• 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: 0.0795
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.1747
• Weighted residual factors for all reflections included in the refinement: 0.229
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0247
• Diffraction radiation wavelength: 0.41097 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No