Information card for entry 7708259

Structure parameters

• Formula: C35 H35 Cl3 N2 Pt
• Calculated formula: C35 H35 Cl3 N2 Pt
• SMILES: [Pt]12(Cl)(c3cc(ccc3c3[n]1cccc3)C)([n]1c(c3c2cc(cc3)C)cccc1)c1ccc(cc1)C(C)(C)C.C(Cl)Cl
• 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: 12.4548 ± 0.001 Å
• b: 11.0478 ± 0.0009 Å
• c: 23.525 ± 0.002 Å
• α: 90°
• β: 99.262 ± 0.003°
• γ: 90°
• Cell volume: 3194.8 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0341
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0617
• Weighted residual factors for all reflections included in the refinement: 0.0634
• Goodness-of-fit parameter for all reflections included in the refinement: 1.215
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No