Information card for entry 1546803

Structure parameters

• Formula: C40 H26 Au F3 N2
• Calculated formula: C40 H26 Au F3 N2
• SMILES: [Au]1(c2c(c3[n]1cc(C(F)(F)F)cc3)c(N(c1ccccc1)c1ccccc1)ccc2)(C#Cc1ccccc1)C#Cc1ccccc1
• Title of publication: Multi-functional bis(alkynyl)gold(iii) N⁁C complexes with distinct mechanochromic luminescence and electroluminescence properties
• Authors of publication: Wong, Ben Yiu-Wing; Wong, Hok-Lai; Wong, Yi-Chun; Au, Vonika Ka-Man; Chan, Mei-Yee; Yam, Vivian Wing-Wah
• Journal of publication: Chem. Sci.
• Year of publication: 2017
• a: 10.6675 ± 0.0004 Å
• b: 10.7859 ± 0.0004 Å
• c: 29.4456 ± 0.0013 Å
• α: 87.957 ± 0.001°
• β: 86.644 ± 0.001°
• γ: 64.109 ± 0.001°
• Cell volume: 3042.5 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0757
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.0507
• Weighted residual factors for all reflections included in the refinement: 0.0565
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No