Information card for entry 4330712

Structure parameters

• Formula: C69 H36 B F24 N3 Pt
• Calculated formula: C69 H36 B F24 N3 Pt
• SMILES: [Pt]12([n]3c(cc(cc3c3[n]2cccc3)c2c3c4c(cc2)ccc2c4c(cc3)ccc2)c2[n]1cccc2)c1ccccc1.FC(F)(F)c1cc(C(F)(F)F)cc(c1)[B-](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
• 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: 16.6148 ± 0.0007 Å
• b: 18.0701 ± 0.0008 Å
• c: 23.7571 ± 0.001 Å
• α: 75.0031 ± 0.0014°
• β: 81.7004 ± 0.0013°
• γ: 87.9886 ± 0.0019°
• Cell volume: 6817.5 ± 0.5 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: 0.114
• Residual factor for significantly intense reflections: 0.069
• Weighted residual factors for significantly intense reflections: 0.161
• Weighted residual factors for all reflections included in the refinement: 0.183
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MO-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No