Information card for entry 4108132

Structure parameters

• Formula: C20 H4 Au2 F10 N2
• Calculated formula: C20 H4 Au2 F10 N2
• SMILES: C([Au]c1c(c(c(c(F)c1F)F)F)F)#[N]c1ccc(cc1)[N]#C[Au]c1c(c(c(c(F)c1F)F)F)F
• Title of publication: Reversible Mechanochromic Luminescence of [(C6F5Au)2(μ-1,4-Diisocyanobenzene)]
• Authors of publication: Hajime Ito; Tomohisa Saito; Naoya Oshima; Noboru Kitamura; Shoji Ishizaka; Yukio Hinatsu; Makoto Wakeshima; Masako Kato; Kiyoshi Tsuge; Masaya Sawamura
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 10044 - 10045
• a: 5.19 ± 0.002 Å
• b: 17.154 ± 0.006 Å
• c: 10.861 ± 0.004 Å
• α: 90°
• β: 90.83 ± 0.03°
• γ: 90°
• Cell volume: 966.8 ± 0.6 ų
• Cell temperature: 296.2 K
• 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
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for all reflections included in the refinement: 0.0976
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No