Information card for entry 4068260

Structure parameters

• Formula: C96 H78 Cl2 F6 N2 O6 P6 Pt2 S2
• Calculated formula: C96 H78 Cl2 F6 N2 O6 P6 Pt2 S2
• SMILES: c12ccc3ccc(c4c3c2c(ccc1[P](c1ccccc1)([Pt]1([P](C[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)Cl)c1ccccc1)cc4)[P](c1ccccc1)(c1ccccc1)[Pt]1([P](C[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)Cl.FC(F)(F)S(=O)(=O)[O-].C(#N)C.FC(F)(F)S(=O)(=O)[O-].C(#N)C
• Title of publication: Switching on the Phosphorescence of Pyrene by Cycloplatination
• Authors of publication: Hu, Jian; Yip, John H. K.; Ma, Dik-Lung; Wong, Kwok-Yin; Chung, Wai-Hong
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 1
• Pages of publication: 51
• a: 10.9217 ± 0.0005 Å
• b: 13.3248 ± 0.0007 Å
• c: 16.9365 ± 0.0009 Å
• α: 69.566 ± 0.001°
• β: 86.911 ± 0.002°
• γ: 81.616 ± 0.001°
• Cell volume: 2285 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.095
• Residual factor for significantly intense reflections: 0.0653
• Weighted residual factors for significantly intense reflections: 0.1431
• Weighted residual factors for all reflections included in the refinement: 0.1618
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No