Information card for entry 7044630

Structure parameters

• Formula: C52 H0.12 N2 O4 Pt2
• Calculated formula: C52 H60 N2 O4 Pt2
• SMILES: [Pt]12(c3c(c4cccc[n]24)c[n]2[Pt]4(OC(=CC(=[O]4)C(C)(C)C)C(C)(C)C)c4c(c2c3)c2c3c(c4)ccc4c3c(cc2)cc(c4)C(C)(C)C)OC(=CC(=[O]1)C(C)(C)C)C(C)(C)C
• Title of publication: Dual Phosphorescent Emission of Dinuclear Platinum (II) Complexes Incorporating Cyclometallating Pyrenyl-Dipyrdine-Based Ligands and Materials Application in Near-Infrared Solution-Processed Polymer Light-Emitting Diodes
• Authors of publication: Liu, Yu; Hao, Zhaoran; Meng, Fanyuan; Wang, Pu; Wang, Yafei; Tan, Hua; Pei, Yong; Su, Shi-Jian
• Journal of publication: Dalton Transactions
• Year of publication: 2017
• a: 31.0858 ± 0.0008 Å
• b: 18.0296 ± 0.0003 Å
• c: 21.7917 ± 0.0005 Å
• α: 90°
• β: 129.261 ± 0.002°
• γ: 90°
• Cell volume: 9456.5 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0582
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.0837
• Weighted residual factors for all reflections included in the refinement: 0.0942
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No