Information card for entry 1514295

Structure parameters

• Formula: C37 H30 F3 N3 O3 Pt S
• Calculated formula: C37 H30 F3 N3 O3 Pt S
• SMILES: [O-]S(=O)(=O)C(F)(F)F.Cc1ccc2c(c1)[Pt]13(c4cc(ccc4c4[n]3cccc4)C)(c3cc(ccc3c3[n]1cccc3)C)[n]1c2cccc1
• 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: 14.0939 ± 0.0012 Å
• b: 19.1285 ± 0.0016 Å
• c: 26.663 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7188.2 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0347
• Residual factor for significantly intense reflections: 0.0269
• Weighted residual factors for significantly intense reflections: 0.0588
• Weighted residual factors for all reflections included in the refinement: 0.0609
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No