Information card for entry 4330713

Structure parameters

• Formula: C25 H23 F6 N4 P Pt
• Calculated formula: C25 H23 F6 N4 P Pt
• SMILES: c1cccc2c3[n]4[Pt]([n]12)(c1ccccc1)[n]1ccccc1c4cc(c3)N1CCCC1.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Arylated versus Cyclometalated Platinum(II) Polypyridines: Photoluminescence from Pt(4'-R-trpy)Ph+ Systems (R = NMe2, N-Pyrrolidinyl, or 1-Pyrenyl)
• Authors of publication: Daniel P. Lazzaro; Phillip E. Fanwick; David R. McMillin
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 10474 - 10476
• a: 10.8081 ± 0.0017 Å
• b: 26.549 ± 0.004 Å
• c: 8.7543 ± 0.0012 Å
• α: 90°
• β: 110.926 ± 0.013°
• γ: 90°
• Cell volume: 2346.3 ± 0.6 ų
• Cell temperature: 150 ± 0.02 K
• Ambient diffraction temperature: 150 ± 0.02 K
• Number of distinct elements: 6
• 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: 0.087
• Residual factor for significantly intense reflections: 0.078
• Weighted residual factors for significantly intense reflections: 0.198
• Weighted residual factors for all reflections included in the refinement: 0.208
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CU-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No