Information card for entry 1518592

Structure parameters

• Common name: Au_Y
• 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: 7.79058 ± 0.00018 Å
• b: 18.7202 ± 0.0005 Å
• c: 6.74157 ± 0.00017 Å
• α: 90°
• β: 103.167 ± 0.0033°
• γ: 90°
• Cell volume: 957.35 ± 0.04 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Ambient diffracton pressure: 101.3 kPa
• 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
• RFsqd: 0.02738
• Goodness-of-fit parameter for all reflections: 3.96
• Method of determination: powder diffraction
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54059 Å
• Diffraction radiation type: CuKα~1~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No