Information card for entry 1564054

Structure parameters

• Formula: C35 H30 F3 N2 O4 P Pt S
• Calculated formula: C35 H30 F3 N2 O4 P Pt S
• SMILES: [Pt]12(c3c(c4[n]2cccc4)cccc3)[P](c2cccc3ccc([n]1c23)C)(c1ccccc1)c1ccccc1.S(=O)(=O)([O-])C(F)(F)F.OC
• Title of publication: Mixed-ligand platinum(II) complexes containing 2-(2′-pyridyl)phenyl and 8-quinolylphosphines: Synthesis and molecular structures in the crystals and in solution
• Authors of publication: Mori, Masatoshi; Suzuki, Takayoshi
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2020
• Journal volume: 512
• Pages of publication: 119862
• a: 9.6434 ± 0.0007 Å
• b: 22.6286 ± 0.0014 Å
• c: 14.943 ± 0.0008 Å
• α: 90°
• β: 90.276 ± 0.002°
• γ: 90°
• Cell volume: 3260.8 ± 0.4 ų
• Cell temperature: 188 ± 2 K
• Ambient diffraction temperature: 188 ± 2 K
• Number of distinct elements: 8
• 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: 0.0453
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0833
• Weighted residual factors for all reflections included in the refinement: 0.0913
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No