Information card for entry 7129844

Structure parameters

• Formula: C44.5 H45 Cl N2 Pt
• Calculated formula: C44.5 H45 Cl N2 Pt
• SMILES: [Pt]123(c4cc(ccc4c4[n]1cccc4)C)([n]1c(c4c2cc(cc4)C)cccc1)c1cc(ccc1c1ccc(cc31)C(C)(C)C)C(C)(C)C.C(Cl)Cl
• 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: 10.9752 ± 0.0008 Å
• b: 29.683 ± 0.002 Å
• c: 23.6145 ± 0.0016 Å
• α: 90°
• β: 91.371 ± 0.002°
• γ: 90°
• Cell volume: 7690.9 ± 0.9 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0334
• Residual factor for significantly intense reflections: 0.0268
• Weighted residual factors for significantly intense reflections: 0.0568
• Weighted residual factors for all reflections included in the refinement: 0.0593
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No