Information card for entry 1518591

Structure parameters

• Common name: Au_G
• Formula: C18 H4 Au2 F8 N4
• Calculated formula: C18 H4 Au2 F8 N4
• SMILES: [Au](C#[N]c1ccc([N]#C[Au]c2c(F)c(F)nc(F)c2F)cc1)c1c(F)c(F)nc(F)c1F
• Title of publication: Interconvertible multiple photoluminescence color of a gold(i) isocyanide complex in the solid state: solvent-induced blue-shifted and mechano-responsive red-shifted photoluminescence
• Authors of publication: Seki, Tomohiro; Ozaki, Taichi; Okura, Takuma; Asakura, Kiyotaka; Sakon, Aya; Uekusa, Hidehiro; Ito, Hajime
• Journal of publication: Chem. Sci.
• Year of publication: 2015
• Journal volume: 6
• Journal issue: 4
• Pages of publication: 2187
• a: 3.5707 ± 0.0003 Å
• b: 10.3087 ± 0.001 Å
• c: 14.2742 ± 0.0011 Å
• α: 107.689 ± 0.004°
• β: 92.505 ± 0.005°
• γ: 100.205 ± 0.005°
• Cell volume: 489.99 ± 0.07 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Ambient diffracton pressure: 101.3 kPa
• 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: 0.1134
• Residual factor for significantly intense reflections: 0.1008
• Weighted residual factors for significantly intense reflections: 0.2546
• Weighted residual factors for all reflections included in the refinement: 0.2713
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No