Information card for entry 1574223

Structure parameters

• Formula: C50 H56 Ag2 Cl4 F12 N8 P2 Pt2
• Calculated formula: C50 H56 Ag2 Cl4 F12 N8 P2 Pt2
• SMILES: [N](#C[Pt]1(C#[N]C(C)(C)C)[C]2#Cc3[n]([Ag]([n]4c(C#C1)cccc4)[C]1#Cc4[n]([Ag]2[n]2c(C#C[Pt]1(C#[N]C(C)(C)C)C#[N]C(C)(C)C)cccc2)cccc4)cccc3)C(C)(C)C.C(Cl)Cl.[P](F)(F)(F)(F)(F)[F-].C(Cl)Cl.[P](F)(F)(F)(F)(F)[F-]
• 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: 11.611 ± 0.005 Å
• b: 13.011 ± 0.006 Å
• c: 21.235 ± 0.009 Å
• α: 90°
• β: 101.158 ± 0.005°
• γ: 90°
• Cell volume: 3147 ± 2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 8
• 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: 0.0625
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.0936
• Weighted residual factors for all reflections included in the refinement: 0.0988
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No