Information card for entry 4080167

Structure parameters

• Common name: 9
• Formula: C60 H84 Cl4 F6 N2 O6 P4 Pt2 S2
• Calculated formula: C60 H84 Cl4 F6 N2 O6 P4 Pt2 S2
• SMILES: C(#Cc1c2ccccc2c(C#C[Pt]([n]2ccccc2)([P](CC)(CC)CC)[P](CC)(CC)CC)c2c1cc1ccccc1c2)[Pt]([P](CC)(CC)CC)([n]1ccccc1)[P](CC)(CC)CC.FC(F)(F)S(=O)(=O)[O-].C(Cl)Cl.FC(F)(F)S(=O)(=O)[O-].C(Cl)Cl
• Title of publication: Ligand Perturbations on Fluorescence of Dinuclear Platinum Complexes of 5,12-Diethynyltetracene: A Spectroscopic and Computational Study
• Authors of publication: Nguyen, Minh-Hai; Wong, Chun-Yuen; Yip, John H. K.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 6
• Pages of publication: 1620
• a: 9.2429 ± 0.0008 Å
• b: 20.0203 ± 0.0017 Å
• c: 37.838 ± 0.003 Å
• α: 90°
• β: 95.066 ± 0.002°
• γ: 90°
• Cell volume: 6974.4 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 9
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0455
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.0931
• Weighted residual factors for all reflections included in the refinement: 0.0946
• Goodness-of-fit parameter for all reflections included in the refinement: 1.245
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No