Information card for entry 1573639

Structure parameters

• Formula: C15 H22 Au O P
• Calculated formula: C15 H22 Au O P
• SMILES: [Au](C#Cc1ccc(OC)cc1)[P](CC)(CC)CC
• Title of publication: Pressure-induced phase transitions in a new luminescent gold(I)-arylacetylide.
• Authors of publication: Dziewiątkowska, Róża; Krzeszczakowska, Joanna; Głodek, Marta; Łomzik, Michał; Plażuk, Damian; Makal, Anna
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 8
• Pages of publication: 3362 - 3374
• a: 16.883 ± 0.0003 Å
• b: 9.85238 ± 0.00017 Å
• c: 16.2916 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2709.91 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Ambient diffracton pressure: 2160000 kPa
• Sample pressure history: Pressurized to 2.16 GPa and left to stabilize over ? hours.
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.052
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.1153
• Weighted residual factors for all reflections included in the refinement: 0.1217
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.41 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No