Information card for entry 7708258

Structure parameters

• Formula: C36.5 H33 Cl F6 N3 P Pt
• Calculated formula: C36.5 H33 Cl F6 N3 P Pt
• SMILES: [Pt]12(c3cc(ccc3c3[n]1cccc3)C)([n]1c(c3c2cc(cc3)C)cccc1)([n]1ccc(cc1)C)c1ccccc1.C(Cl)Cl.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Luminescent halido(aryl) Pt(iv) complexes obtained via oxidative addition of iodobenzene or diaryliodonium salts to bis-cyclometalated Pt(ii) precursors
• Authors of publication: López-López, Juan-Carlos; Bautista, Delia; González-Herrero, Pablo
• Journal of publication: Dalton Transactions
• Year of publication: 2021
• a: 12.0157 ± 0.0008 Å
• b: 14.6749 ± 0.0011 Å
• c: 21.597 ± 0.0015 Å
• α: 82.664 ± 0.003°
• β: 77.421 ± 0.003°
• γ: 73.664 ± 0.003°
• Cell volume: 3557.7 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.037
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for significantly intense reflections: 0.07
• Weighted residual factors for all reflections included in the refinement: 0.0734
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No