Information card for entry 7234870

Structure parameters

• Formula: C46 H0.25 N6 O2 Pt2 S2
• Calculated formula: C46 H30 N6 O2 Pt2 S2
• Title of publication: Dinuclear platinum complexes containing aryl-isoquinoline and oxadiazole-thiol with an efficiency of over 8.8%: in-depth investigation of the relationship between their molecular structure and near-infrared electroluminescent properties in PLEDs
• Authors of publication: Wenjing Xiong; Fanyuan Meng; Hua Tan; Yafei Wang; Pu Wang; Youming Zhang; Qiang Tao; Shijian Su; Weiguo Zhu
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2016
• Journal volume: 4
• Pages of publication: 6007 - 6015
• a: 12.9601 ± 0.0006 Å
• b: 16.5337 ± 0.0008 Å
• c: 18.6183 ± 0.001 Å
• α: 90°
• β: 105.737 ± 0.005°
• γ: 90°
• Cell volume: 3840 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1136
• Residual factor for significantly intense reflections: 0.0733
• Weighted residual factors for significantly intense reflections: 0.1669
• Weighted residual factors for all reflections included in the refinement: 0.2022
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No