Information card for entry 7043503

Structure parameters

• Formula: C30 H44 F6 N2 O6 P2 Pt S2
• Calculated formula: C30 H44 F6 N2 O6 P2 Pt S2
• SMILES: C(#Cc1c[n+](ccc1)C)[Pt]([P](CC)(CC)CC)(C#Cc1ccc[n+](c1)C)[P](CC)(CC)CC.FC(S(=O)(=O)[O-])(F)F.FC(F)(F)S(=O)(=O)[O-]
• Title of publication: Increasing phosphorescent quantum yields and lifetimes of platinum-alkynyl complexes with extended conjugation
• Authors of publication: Zhang, Yuzhen; Hauke, Cory E.; Crawley, Matthew R.; Schurr, Bradley E.; Fulong, Cressa Ria P.; Cook, Timothy
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 8.9921 ± 0.0004 Å
• b: 20.8912 ± 0.0009 Å
• c: 10.4273 ± 0.0004 Å
• α: 90°
• β: 106.284 ± 0.0012°
• γ: 90°
• Cell volume: 1880.25 ± 0.14 ų
• Cell temperature: 105.49 K
• Ambient diffraction temperature: 105.49 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: 0.0233
• Residual factor for significantly intense reflections: 0.0177
• Weighted residual factors for significantly intense reflections: 0.0381
• Weighted residual factors for all reflections included in the refinement: 0.0398
• Goodness-of-fit parameter for all reflections included in the refinement: 1.175
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No