Information card for entry 7120102

Structure parameters

• Chemical name: 1R
• Formula: C11 H8 Au N S
• Calculated formula: C11 H8 Au N S
• Title of publication: Low-Temperature-Selective Luminescent Mechanochromism of a Thienyl Gold Isocyanide Complex
• Authors of publication: Seki, Tomohiro; Kobayashi, Koh; Ito, Hajime
• Journal of publication: Chem. Commun.
• Year of publication: 2017
• a: 5.85 ± 0.003 Å
• b: 8.472 ± 0.004 Å
• c: 11.703 ± 0.006 Å
• α: 102.488 ± 0.01°
• β: 99.645 ± 0.009°
• γ: 96.731 ± 0.009°
• Cell volume: 551.1 ± 0.5 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 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: 0.1752
• Residual factor for significantly intense reflections: 0.0725
• Weighted residual factors for significantly intense reflections: 0.1296
• Weighted residual factors for all reflections included in the refinement: 0.1666
• Goodness-of-fit parameter for all reflections included in the refinement: 0.978
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No