Information card for entry 4086990

Structure parameters

• Formula: C26 H16 F3 N3 O2 Pt
• Calculated formula: C26 H16 F3 N3 O2 Pt
• SMILES: c1ccccc1c1n[n]2c(c3ccccc3O[Pt]32c2c(c4cccc[n]34)ccc(c2)C(F)(F)F)o1
• Title of publication: Efficient Electroluminescence of Two Heteroleptic Platinum Complexes with a 2-(5-Phenyl-1,3,4-oxadiazol-2-yl)phenol Ancillary Ligand
• Authors of publication: Lu, Guang-Zhao; Jing, Yi-Ming; Han, Hua-Bo; Fang, Yu-Liang; Zheng, You-Xuan
• Journal of publication: Organometallics
• Year of publication: 2017
• Journal volume: 36
• Journal issue: 2
• Pages of publication: 448
• a: 12.2467 ± 0.0016 Å
• b: 6.2204 ± 0.0008 Å
• c: 28.948 ± 0.004 Å
• α: 90°
• β: 94.182 ± 0.002°
• γ: 90°
• Cell volume: 2199.4 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.047
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.0961
• Weighted residual factors for all reflections included in the refinement: 0.1001
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No