Information card for entry 7043501

Structure parameters

• Formula: C26 H38 N2 P2 Pt
• Calculated formula: C26 H38 N2 P2 Pt
• SMILES: [Pt](C#Cc1ccncc1)(C#Cc1ccncc1)([P](CC)(CC)CC)[P](CC)(CC)CC
• 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: 9.0413 ± 0.0004 Å
• b: 10.8299 ± 0.0005 Å
• c: 14.3021 ± 0.0006 Å
• α: 90°
• β: 107.367 ± 0.001°
• γ: 90°
• Cell volume: 1336.57 ± 0.1 ų
• Cell temperature: 99.67 K
• Ambient diffraction temperature: 99.67 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: 0.0207
• Residual factor for significantly intense reflections: 0.0167
• Weighted residual factors for significantly intense reflections: 0.0415
• Weighted residual factors for all reflections included in the refinement: 0.0434
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No