Information card for entry 4126117

Structure parameters

• Formula: C21 H14 Au N
• Calculated formula: C21 H14 Au N
• SMILES: [Au](C#[N]c1ccccc1)c1c2ccccc2cc2ccccc12
• Title of publication: Luminescent Mechanochromic 9-Anthryl Gold(I) Isocyanide Complex with an Emission Maximum at 900 nm after Mechanical Stimulation.
• Authors of publication: Seki, Tomohiro; Tokodai, Noriaki; Omagari, Shun; Nakanishi, Takayuki; Hasegawa, Yasuchika; Iwasa, Takeshi; Taketsugu, Tetsuya; Ito, Hajime
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 19
• Pages of publication: 6514 - 6517
• a: 16.9857 ± 0.0007 Å
• b: 5.9677 ± 0.0003 Å
• c: 17.1136 ± 0.0007 Å
• α: 90°
• β: 112.883 ± 0.001°
• γ: 90°
• Cell volume: 1598.21 ± 0.12 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0401
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.0965
• Weighted residual factors for all reflections included in the refinement: 0.0981
• Goodness-of-fit parameter for all reflections included in the refinement: 1.146
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No