Information card for entry 1544743

Structure parameters

• Formula: C32 H25 Au N2 O2
• Calculated formula: C32 H25 Au N2 O2
• SMILES: [Au]12(c3c(c4[n]2c(c2c1cccc2)ccc4)cccc3)C#Cc1cc2ccc(N(CC)CC)cc2oc1=O
• 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: 11.4778 ± 0.0017 Å
• b: 20.461 ± 0.003 Å
• c: 11.6734 ± 0.0017 Å
• α: 90°
• β: 111.062 ± 0.002°
• γ: 90°
• Cell volume: 2558.3 ± 0.7 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• 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: 0.0241
• Residual factor for significantly intense reflections: 0.024
• Weighted residual factors for significantly intense reflections: 0.0645
• Weighted residual factors for all reflections included in the refinement: 0.0645
• Goodness-of-fit parameter for all reflections included in the refinement: 1.142
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No