Information card for entry 7007121

Structure parameters

• Formula: C25 H10 Au F9 N P S
• Calculated formula: C25 H10 Au F9 N P S
• SMILES: [Au]([P](c1nc2c(s1)c(c(c(c2F)F)F)F)(c1ccccc1)c1ccccc1)c1c(c(c(c(c1F)F)F)F)F
• 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: 8.5376 ± 0.0002 Å
• b: 18.734 ± 0.0005 Å
• c: 14.7669 ± 0.0004 Å
• α: 90°
• β: 90.757 ± 0.001°
• γ: 90°
• Cell volume: 2361.66 ± 0.11 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0369
• Residual factor for significantly intense reflections: 0.0265
• Weighted residual factors for significantly intense reflections: 0.0549
• Weighted residual factors for all reflections included in the refinement: 0.0583
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No