Information card for entry 7206584

Structure parameters

• Formula: C19 H20 Au N4
• Calculated formula: C19 H20 Au N4
• SMILES: [Au](C#N)C#N.[nH+]1ccc(cc1)/C=C/c1ccc(N(CC)CC)cc1
• 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: 25.731 ± 0.0016 Å
• b: 8.072 ± 0.0007 Å
• c: 18.411 ± 0.0016 Å
• α: 90°
• β: 106.441 ± 0.003°
• γ: 90°
• Cell volume: 3667.6 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.1041
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.0911
• Weighted residual factors for all reflections included in the refinement: 0.1114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No