Information card for entry 1574225

Structure parameters

• Formula: C53 H64 Cl2 Cu2 F12 N8 O P2 Pt2
• Calculated formula: C53 H64 Cl2 Cu2 F12 N8 O P2 Pt2
• SMILES: [Pt]1(C#Cc2[n]([Cu]34[n]5c([C]6[Cu]7([n]8ccccc8C#C[Pt](C#[N]C(C)(C)C)([C]3#[C]4c3[n]7cccc3)C#[N]C(C)(C)C)[C]1#6)cccc5)cccc2)(C#[N]C(C)(C)C)C#[N]C(C)(C)C.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].ClCCl.C(OCC)C
• Title of publication: Enhanced blue phosphorescence in platinum acetylide complexes via a secondary heavy metal and anion-controlled aggregation
• Authors of publication: Dang, Vinh Q.; Jiang, Chenggang; Teets, Thomas S.
• Journal of publication: Chemical Science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 17
• Pages of publication: 7302 - 7310
• a: 10.1312 ± 0.0018 Å
• b: 13.882 ± 0.003 Å
• c: 25.808 ± 0.005 Å
• α: 89.634 ± 0.002°
• β: 78.885 ± 0.002°
• γ: 75.512 ± 0.002°
• Cell volume: 3445 ± 1.2 ų
• Cell temperature: 123.22 K
• Ambient diffraction temperature: 123.22 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0542
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0852
• Weighted residual factors for all reflections included in the refinement: 0.0906
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No