Information card for entry 1544742

Structure parameters

• Formula: C26 H38 Au N2 P S
• Calculated formula: C26 H38 Au N2 P S
• SMILES: [Au](C#Cc1c2c(ccc1)NSN2)[P](C1CCCCC1)(C1CCCCC1)C1CCCCC1
• Title of publication: The interplay between fluorescence and phosphorescence with luminescent gold(i) and gold(iii) complexes bearing heterocyclic arylacetylide ligands.
• Authors of publication: Chan, Kaai Tung; Tong, Glenna So Ming; To, Wai-Pong; Yang, Chen; Du, Lili; Phillips, David Lee; Che, Chi-Ming
• Journal of publication: Chemical science
• Year of publication: 2017
• Journal volume: 8
• Journal issue: 3
• Pages of publication: 2352 - 2364
• a: 12.4327 ± 0.0005 Å
• b: 15.7628 ± 0.0007 Å
• c: 12.9117 ± 0.0006 Å
• α: 90°
• β: 97.2061 ± 0.0009°
• γ: 90°
• Cell volume: 2510.37 ± 0.19 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• 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: 0.0322
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for significantly intense reflections: 0.0853
• Weighted residual factors for all reflections included in the refinement: 0.0859
• Goodness-of-fit parameter for all reflections included in the refinement: 1.129
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No