Information card for entry 1514296

Structure parameters

• Formula: C35 H20 Cl2 F9 N3 O3 Pt S
• Calculated formula: C35 H20 Cl2 F9 N3 O3 Pt S
• SMILES: [Pt]123([n]4c(cccc4)c4c1cc(F)cc4F)([n]1c(cccc1)c1c2cc(F)cc1F)[n]1c(cccc1)c1c3cc(F)cc1F.C(Cl)Cl.C(F)(F)(F)S(=O)(=O)[O-]
• Title of publication: Homoleptic tris-cyclometalated platinum(iv) complexes: a new class of long-lived, highly efficient 3LC emitters
• Authors of publication: Juliá, Fabio; Bautista, Delia; Fernández-Hernández, Jesús M.; González-Herrero, Pablo
• Journal of publication: Chemical Science
• Year of publication: 2014
• Journal volume: 5
• Journal issue: 5
• Pages of publication: 1875
• a: 10.3618 ± 0.0009 Å
• b: 12.3271 ± 0.0011 Å
• c: 14.6981 ± 0.0012 Å
• α: 81.352 ± 0.002°
• β: 88.049 ± 0.002°
• γ: 80.752 ± 0.002°
• Cell volume: 1831.8 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0376
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0885
• Weighted residual factors for all reflections included in the refinement: 0.0899
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No