Information card for entry 7054527

Structure parameters

• Common name: [Pt(SC6H5)(triphos)][OTf]
• Chemical name: Platinum-triphos-SC6H5 Triflate
• Formula: C41 H38 F3 O3 P3 Pt S2
• Calculated formula: C41 H38 F3 O3 P3 Pt S2
• SMILES: [Pt]12(Sc3ccccc3)[P](c3ccccc3)(c3ccccc3)CC[P]1(c1ccccc1)CC[P]2(c1ccccc1)c1ccccc1.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: cis and trans influences on [Pt(SRF)(triphos)]+complexes (SRF= polyfluorobenzothiolate)
• Authors of publication: Cervantes, Ruy; Tiburcio, Jorge; Torrens, Hugo
• Journal of publication: New J. Chem.
• Year of publication: 2015
• Journal volume: 39
• Journal issue: 1
• Pages of publication: 631
• a: 10.2751 ± 0.0003 Å
• b: 19.9018 ± 0.0007 Å
• c: 19.3686 ± 0.0008 Å
• α: 90°
• β: 93.744 ± 0.001°
• γ: 90°
• Cell volume: 3952.3 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1106
• Residual factor for significantly intense reflections: 0.066
• Weighted residual factors for significantly intense reflections: 0.1774
• Weighted residual factors for all reflections included in the refinement: 0.2267
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No