Information card for entry 4065102

Structure parameters

• Common name: 5.CH2Cl2
• Formula: C63 H84 Cl2 F6 N2 O6 P4 Pt2 S2
• Calculated formula: C63 H84 Cl2 F6 N2 O6 P4 Pt2 S2
• SMILES: C(C)[P]([Pt]([P](CC)(CC)CC)([n]1ccccc1)C#Cc1c2cc3ccccc3cc2c(c2cc3ccccc3cc12)C#C[Pt]([P](CC)(CC)CC)([P](CC)(CC)CC)[n]1ccccc1)(CC)CC.S(=O)(=O)([O-])C(F)(F)F.C(Cl)Cl.S(=O)(=O)([O-])C(F)(F)F
• 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: 9.359 ± 0.005 Å
• b: 19.357 ± 0.009 Å
• c: 20.162 ± 0.01 Å
• α: 77.513 ± 0.009°
• β: 85.523 ± 0.01°
• γ: 78.643 ± 0.009°
• Cell volume: 3494 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1151
• Residual factor for significantly intense reflections: 0.0684
• Weighted residual factors for significantly intense reflections: 0.1758
• Weighted residual factors for all reflections included in the refinement: 0.1955
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No