Information card for entry 4514477

Structure parameters

• Formula: C34 H44 N2 O4 Pt2 S2
• Calculated formula: C34 H44 N2 O4 Pt2 S2
• SMILES: [Pt]12([n]3c(c4sc(cc24)CCCCCC)cc2[n]([Pt]4(c5c2sc(c5)CCCCCC)OC(=CC(=[O]4)C)C)c3)OC(=CC(=[O]1)C)C
• Title of publication: Dinuclear Design of a Pt(II) Complex Affording Highly Efficient Red Emission: Photophysical Properties and Application in Solution-Processible OLEDs.
• Authors of publication: Shafikov, Marsel Z.; Daniels, Ruth; Pander, Piotr; Dias, Fernando B.; Williams, J. A. Gareth; Kozhevnikov, Valery N.
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2019
• Journal volume: 11
• Journal issue: 8
• Pages of publication: 8182 - 8193
• a: 21.3046 ± 0.0003 Å
• b: 7.792 ± 0.0001 Å
• c: 20.9345 ± 0.0002 Å
• α: 90°
• β: 94.21 ± 0.001°
• γ: 90°
• Cell volume: 3465.86 ± 0.07 ų
• Cell temperature: 123.08 ± 0.13 K
• Ambient diffraction temperature: 123.08 ± 0.13 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0508
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.0709
• Weighted residual factors for all reflections included in the refinement: 0.0803
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No