Information card for entry 4068258

Structure parameters

• Formula: C92 H70 F6 O6 P6 Pt2 S2
• Calculated formula: C92 H70 F6 O6 P6 Pt2 S2
• SMILES: [Pt]12([P](c3ccc4c5c6c7c([Pt]8([P](c7ccc6cc2c35)(c2ccccc2)c2ccccc2)[P](C[P]8(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)c4)(c2ccccc2)c2ccccc2)[P](C[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F
• 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: 15.5793 ± 0.0007 Å
• b: 16.784 ± 0.0007 Å
• c: 19.0982 ± 0.0008 Å
• α: 110.538 ± 0.001°
• β: 111.094 ± 0.001°
• γ: 98.77 ± 0.001°
• Cell volume: 4135.1 ± 0.3 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0627
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.0767
• Weighted residual factors for all reflections included in the refinement: 0.0829
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No