Information card for entry 4304347

Structure parameters

• Formula: C15 H19 Au Cl N O5
• Calculated formula: C15 H19 Au Cl N O5
• SMILES: [Au](C#[N]c1ccc2c(c1)OCCOCCOCCOCCO2)Cl
• Title of publication: Luminescence and Mesogenic Properties in Crown-Ether-Isocyanide or Carbene Gold(I) Complexes: Luminescence in Solution, in the Solid, in the Mesophase, and in the Isotropic Liquid State
• Authors of publication: Javier Arias; Manuel Bardají; Pablo Espinet
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 3559 - 3567
• a: 8.4334 ± 0.0015 Å
• b: 9.4916 ± 0.0016 Å
• c: 21.699 ± 0.004 Å
• α: 84.3 ± 0.003°
• β: 79.043 ± 0.003°
• γ: 88.603 ± 0.003°
• Cell volume: 1696.8 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0531
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.1185
• Weighted residual factors for all reflections included in the refinement: 0.1312
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No