Information card for entry 7004560

Structure parameters

• Formula: C22 H13 F6 N3 O Pt
• Calculated formula: C22 H13 F6 N3 O Pt
• SMILES: [Pt]12(c3ccccc3c3[n]1cnc1c3cccc1)OC(c1[n]2cccc1)(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: 7.3387 ± 0.0007 Å
• b: 11.4663 ± 0.0011 Å
• c: 12.3233 ± 0.0012 Å
• α: 99.759 ± 0.002°
• β: 98.064 ± 0.002°
• γ: 99.111 ± 0.002°
• Cell volume: 994.09 ± 0.17 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0244
• Residual factor for significantly intense reflections: 0.0223
• Weighted residual factors for significantly intense reflections: 0.0507
• Weighted residual factors for all reflections included in the refinement: 0.0516
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No