Information card for entry 7129845

Structure parameters

• Formula: C36 H25 F2 I N2 Pt
• Calculated formula: C36 H25 F2 I N2 Pt
• SMILES: [Pt]123(c4cc(ccc4c4[n]1cccc4)C)([n]1c(c4c2cc(cc4)C)cccc1)c1cc(cc(c1c1ccc(cc31)F)I)F
• Title of publication: Phosphorescent biaryl platinum(IV) complexes obtained through double metalation of dibenzoiodolium ions.
• Authors of publication: López-López, Juan-Carlos; Bautista, Delia; González-Herrero, Pablo
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2022
• Journal volume: 58
• Journal issue: 28
• Pages of publication: 4532 - 4535
• a: 17.1359 ± 0.001 Å
• b: 18.0068 ± 0.001 Å
• c: 18.8414 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5813.8 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0242
• Residual factor for significantly intense reflections: 0.0179
• Weighted residual factors for significantly intense reflections: 0.037
• Weighted residual factors for all reflections included in the refinement: 0.0395
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No