Information card for entry 7043502

Structure parameters

• Formula: C30 H44 F6 N2 O6 P2 Pt S2
• Calculated formula: C30 H44 F6 N2 O6 P2 Pt S2
• SMILES: C(#Cc1cc[n+](cc1)C)[Pt](C#Cc1cc[n+](cc1)C)([P](CC)(CC)CC)[P](CC)(CC)CC.FC(F)(F)S(=O)(=O)[O-].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: 8.9273 ± 0.0005 Å
• b: 8.9819 ± 0.0005 Å
• c: 13.1473 ± 0.0007 Å
• α: 75.641 ± 0.002°
• β: 76.921 ± 0.002°
• γ: 68.656 ± 0.002°
• Cell volume: 940.35 ± 0.09 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0168
• Residual factor for significantly intense reflections: 0.0168
• Weighted residual factors for significantly intense reflections: 0.0435
• Weighted residual factors for all reflections included in the refinement: 0.0435
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No