Information card for entry 7006100

Structure parameters

• Formula: C51 H37 Au F5 N P2 S
• Calculated formula: C51 H37 Au F5 N P2 S
• SMILES: [Au](SC#Cc1ccc(C)cc1)c1c(F)c(F)c(F)c(F)c1F.P(=N[P+](c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Synthesis and properties of alkynethiolate gold(i) complexes
• Authors of publication: Lardiés, Nora; Romeo, Inocencio; Cerrada, Elena; Laguna, Mariano; Skabara, Peter J.
• Journal of publication: Dalton Transactions
• Year of publication: 2007
• Journal issue: 45
• Pages of publication: 5329
• a: 9.759 ± 0.004 Å
• b: 23.066 ± 0.012 Å
• c: 19.794 ± 0.014 Å
• α: 90°
• β: 100.25 ± 0.05°
• γ: 90°
• Cell volume: 4385 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0558
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0864
• Weighted residual factors for all reflections included in the refinement: 0.1018
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No