Information card for entry 7235047

Structure parameters

• Chemical name: CC-MP4
• Formula: C117 H109 B2 N4 S4
• Calculated formula: C117 H109 B2 N4.0026 S4
• Title of publication: A phenothiazine/dimesitylborane hybrid material as a bipolar transport host of red phosphor
• Authors of publication: Yu-Jen Cheng; Siao-Yin Yu; Song-Cheng Lin; Jiann T. Lin; Li-Yin Chen; Dai-Sin Hsiu; Yuh Sheng Wen; Mandy M. Lee; Shih-Sheng Sun
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2016
• Journal volume: 4
• Pages of publication: 9499 - 9508
• a: 8.4398 ± 0.0003 Å
• b: 13.9346 ± 0.0004 Å
• c: 41.3013 ± 0.0013 Å
• α: 90°
• β: 95.627 ± 0.002°
• γ: 90°
• Cell volume: 4833.8 ± 0.3 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 K
• Number of distinct elements: 5
• 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: 0.0942
• Residual factor for significantly intense reflections: 0.0785
• Weighted residual factors for significantly intense reflections: 0.2022
• Weighted residual factors for all reflections included in the refinement: 0.2167
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No