Information card for entry 7206585

Structure parameters

• Formula: C21 H23 Au N4 O
• Calculated formula: C21 H22 Au N4 O
• SMILES: [Au](C#N)C#N.O(C[C@@H]1N(c2ccc(/C=C/c3cc[nH+]cc3)cc2)CCC1)C
• Title of publication: Synthesis, crystal structures, and solid state quadratic nonlinear optical properties of a series of stilbazolium cations combined with gold cyanide counter-ion
• Authors of publication: Lacroix, Pascal G.; Munoz, M. Carmen; Gaspar, Ana Belén; Real, José Antonio; Bonhommeau, Sébastien; Rodriguez, Vincent; Nakatani, Keitaro
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2011
• Journal volume: 21
• Journal issue: 40
• Pages of publication: 15940
• a: 6.615 ± 0.0003 Å
• b: 7.661 ± 0.0003 Å
• c: 10.267 ± 0.0006 Å
• α: 83.806 ± 0.002°
• β: 83.545 ± 0.002°
• γ: 77.497 ± 0.003°
• Cell volume: 502.87 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0394
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.0948
• Weighted residual factors for all reflections included in the refinement: 0.0981
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No