Information card for entry 4330715

Structure parameters

• Formula: C23 H21 F6 N4 P Pt
• Calculated formula: C23 H21 F6 N4 P Pt
• SMILES: [Pt]12([n]3ccccc3c3cc(N(C)C)cc([n]13)c1[n]2cccc1)c1ccccc1.[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: 9.5507 ± 0.0008 Å
• b: 10.895 ± 0.001 Å
• c: 12.259 ± 0.0012 Å
• α: 100.421 ± 0.008°
• β: 95.372 ± 0.007°
• γ: 112.957 ± 0.006°
• Cell volume: 1136.1 ± 0.2 ų
• Cell temperature: 150 ± 0.02 K
• Ambient diffraction temperature: 150 ± 0.02 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: 0.056
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.141
• Weighted residual factors for all reflections included in the refinement: 0.145
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CU-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No