Information card for entry 7001748

Structure parameters

• Formula: C33 H26 F4 P2 Pt S2
• Calculated formula: C33 H26 F4 P2 Pt S2
• SMILES: [Pt]12(Sc3c(S1)c(c(c(c3F)F)F)F)[P](CCC[P]2(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Aromatic C‒F activation by complexes containing the {Pt2S2} core via nucleophilic substitution: a combined experimental and theoretical study
• Authors of publication: Nova, Ainara; Mas-Ballesté, Rubén; Ujaque, Gregori; González-Duarte, Pilar; Lledós, Agustí
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 30
• Pages of publication: 5980 - 5988
• a: 13.393 ± 0.004 Å
• b: 21.653 ± 0.006 Å
• c: 12.975 ± 0.003 Å
• α: 90°
• β: 113.829 ± 0.004°
• γ: 90°
• Cell volume: 3442 ± 1.6 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• 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: 0.0548
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0784
• Weighted residual factors for all reflections included in the refinement: 0.0847
• Goodness-of-fit parameter for all reflections included in the refinement: 1.398
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No