Information card for entry 4066326

Structure parameters

• Formula: C14 H12 Au N
• Calculated formula: C14 H12 Au N
• SMILES: [Au](C#Cc1ccccc1)[n]1ccc(cc1)C
• Title of publication: Pyridyl Gold(I) Alkynyls: A Synthetic, Structural, Spectroscopic, and Computational Study
• Authors of publication: Kilpin, Kelly J.; Horvath, Raphael; Jameson, Geoffrey B.; Telfer, Shane G.; Gordon, Keith C.; Crowley, James D.
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 23
• Pages of publication: 6186
• a: 6.393 ± 0.002 Å
• b: 7.2809 ± 0.0003 Å
• c: 25.1246 ± 0.0009 Å
• α: 90°
• β: 97.161 ± 0.012°
• γ: 90°
• Cell volume: 1160.3 ± 0.4 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• 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: 0.0425
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.1127
• Weighted residual factors for all reflections included in the refinement: 0.1191
• Goodness-of-fit parameter for all reflections included in the refinement: 1.369
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No