Information card for entry 7007120

Structure parameters

• Formula: C19 H10 Au Cl F4 N P S
• Calculated formula: C19 H10 Au Cl F4 N P S
• SMILES: [Au](Cl)[P](c1sc2c(n1)c(c(c(c2F)F)F)F)(c1ccccc1)c1ccccc1
• Title of publication: Synthesis, coordination to Au(I) and photophysical properties of a novel polyfluorinated benzothiazolephosphine ligand.
• Authors of publication: Fernández, Eduardo J; Laguna, Antonio; López-de-Luzuriaga, José M; Monge, Miguel; Montiel, Manuel; Olmos, M. Elena; Rodríguez-Castillo, María
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 30
• Pages of publication: 3672 - 3677
• a: 8.3342 ± 0.0003 Å
• b: 10.258 ± 0.0003 Å
• c: 11.4515 ± 0.0004 Å
• α: 97.223 ± 0.001°
• β: 96.787 ± 0.001°
• γ: 97.01 ± 0.001°
• Cell volume: 955.08 ± 0.06 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0425
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0828
• Weighted residual factors for all reflections included in the refinement: 0.0864
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No