Information card for entry 4103835

Structure parameters

• Formula: C17 H20 Au Cl N2 S2
• Calculated formula: C17 H20 Au Cl N2 S2
• SMILES: [Au](Cl)=C1N(C(=C(N1C)c1c(sc(c1)C)C)c1cc(sc1C)C)C
• Title of publication: Photochromic Diarylethene-Containing Ionic Liquids and N-Heterocyclic Carbenes
• Authors of publication: Vivian Wing-Wah Yam; Jason Ka-Wai Lee; Chi-Chiu Ko; Nianyong Zhu
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 912 - 913
• a: 17.141 ± 0.003 Å
• b: 7.93 ± 0.0016 Å
• c: 14.179 ± 0.003 Å
• α: 90°
• β: 96.23 ± 0.03°
• γ: 90°
• Cell volume: 1915.9 ± 0.7 ų
• Cell temperature: 301 ± 2 K
• Ambient diffraction temperature: 301 ± 2 K
• Number of distinct elements: 6
• 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: 0.046
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.1135
• Weighted residual factors for all reflections included in the refinement: 0.1254
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No