Information card for entry 7004559

Structure parameters

• Formula: C21 H12 F6 N2 O Pt
• Calculated formula: C21 H12 F6 N2 O Pt
• SMILES: [Pt]12(c3cccc4ccc5c([n]2ccc5)c34)OC(c2[n]1cccc2)(C(F)(F)F)C(F)(F)F
• Title of publication: Emissive Pt(ii) complexes bearing both cyclometalated ligand and 2-pyridyl hexafluoropropoxide ancillary chelate
• Authors of publication: Chang, Sheng-Yuan; Cheng, Yi-Ming; Chi, Yun; Lin, Yi-Chih; Jiang, Chang-Ming; Lee, Gene-Hsiang; Chou, Pi-Tai
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 48
• Pages of publication: 6901 - 6911
• a: 16.2213 ± 0.0012 Å
• b: 7.2387 ± 0.0006 Å
• c: 16.4625 ± 0.0012 Å
• α: 90°
• β: 104.989 ± 0.002°
• γ: 90°
• Cell volume: 1867.3 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0605
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.1021
• Weighted residual factors for all reflections included in the refinement: 0.1179
• Goodness-of-fit parameter for all reflections included in the refinement: 1.15
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No