Information card for entry 1544744

Structure parameters

• Formula: C39 H51 Au B F2 N2 P
• Calculated formula: C39 H51 Au B F2 N2 P
• SMILES: [Au](C#Cc1c(n2c(c1C)C(=c1[n](c(cc1C)C)[B]2(F)F)c1ccccc1)C)[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: 10.9501 ± 0.0006 Å
• b: 25.1526 ± 0.0013 Å
• c: 13.6349 ± 0.0007 Å
• α: 90°
• β: 102.556 ± 0.001°
• γ: 90°
• Cell volume: 3665.6 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0417
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.1069
• Weighted residual factors for all reflections included in the refinement: 0.1077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No