Information card for entry 4065099

Structure parameters

• Common name: 2.2CH2Cl2
• Formula: C64 H86 Cl4 P4 Pt2 S2
• Calculated formula: C64 H86 Cl4 P4 Pt2 S2
• SMILES: C(#Cc1c2cc3ccccc3cc2c(C#C[Pt]([P](CC)(CC)CC)([P](CC)(CC)CC)Sc2ccccc2)c2cc3ccccc3cc12)[Pt]([P](CC)(CC)CC)([P](CC)(CC)CC)Sc1ccccc1.C(Cl)Cl.C(Cl)Cl
• Title of publication: Pushing Pentacene-Based Fluorescence to the Near-Infrared Region by Platination
• Authors of publication: Nguyen, Minh-Hai; Yip, John H. K.
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 23
• Pages of publication: 6383
• a: 8.5325 ± 0.0019 Å
• b: 12.255 ± 0.003 Å
• c: 15.834 ± 0.004 Å
• α: 95.889 ± 0.004°
• β: 95.537 ± 0.004°
• γ: 100.011 ± 0.004°
• Cell volume: 1610.8 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0607
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.0999
• Weighted residual factors for all reflections included in the refinement: 0.104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No