Information card for entry 4330714

Structure parameters

• Formula: C21 H16 F6 N3 P Pt
• Calculated formula: C21 H16 F6 N3 P Pt
• SMILES: [Pt]12([n]3c(c4[n]1cccc4)cccc3c1ccccc21)[n]1ccccc1.[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: 8.8236 ± 0.001 Å
• b: 10.4423 ± 0.0008 Å
• c: 12.1252 ± 0.0014 Å
• α: 106.007 ± 0.007°
• β: 93.601 ± 0.01°
• γ: 112.009 ± 0.007°
• Cell volume: 978.17 ± 0.19 ų
• Cell temperature: 150 ± 0.2 K
• Ambient diffraction temperature: 150 ± 0.2 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: 0.044
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.121
• Weighted residual factors for all reflections included in the refinement: 0.122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CU-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No