Information card for entry 4066327

Structure parameters

• Formula: C19 H19 Au Fe N2
• Calculated formula: C19 H19 Au Fe N2
• SMILES: c1cc(cc[n]1[Au]C#C[c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]1[cH]6[cH]7[cH]82)N(C)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: 10.736 ± 0.003 Å
• b: 10.83 ± 0.003 Å
• c: 14.924 ± 0.004 Å
• α: 89.845 ± 0.002°
• β: 89.908 ± 0.002°
• γ: 72.099 ± 0.002°
• Cell volume: 1651.2 ± 0.8 ų
• Cell temperature: 89 ± 2 K
• Ambient diffraction temperature: 89 ± 2 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: 0.1443
• Residual factor for significantly intense reflections: 0.0667
• Weighted residual factors for significantly intense reflections: 0.122
• Weighted residual factors for all reflections included in the refinement: 0.1535
• Goodness-of-fit parameter for all reflections included in the refinement: 0.953
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No