Information card for entry 7129642

Structure parameters

• Chemical name: 5BF4
• Formula: C27 H16 Au Cl6 F8 N3 Sb
• Calculated formula: C27 H16 Au Cl6 F8 N3 Sb
• SMILES: [Au]([n]1cc(F)c(c(F)c1)[C](c1c(Cl)cc(Cl)cc1Cl)c1c(Cl)cc(Cl)cc1Cl)=C1N(c2c(N1C)cccc2)C.[Sb](F)(F)(F)(F)([F-])F
• Title of publication: Amplification of luminescence of stable radicals by coordination to NHC–gold(i) complex
• Authors of publication: Hattori, Yohei; Kitajima, Ryota; Matsuoka, Ryota; Kusamoto, Tetsuro; Nishihara, Hiroshi; Uchida, Kingo
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 15.9293 ± 0.0005 Å
• b: 11.4765 ± 0.0004 Å
• c: 17.8993 ± 0.0005 Å
• α: 90°
• β: 95.454 ± 0.007°
• γ: 90°
• Cell volume: 3257.4 ± 0.18 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103.15 K
• Number of distinct elements: 7
• 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: 0.0344
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.0781
• Weighted residual factors for all reflections included in the refinement: 0.0797
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No