Information card for entry 7126328

Structure parameters

• Formula: C H N O S
• Calculated formula: C2.93023 H2.82558 N0.395349 O0.72093 S0.0930233
• Title of publication: Charge transfer co-crystals based on donor-acceptor interactions for near-infrared photothermal conversion.
• Authors of publication: Wang, Danbo; Kan, Xiaonan; Wu, Chenyu; Gong, Yuzhen; Guo, Guangming; Liang, Tongling; Wang, Lan; Li, Zhibo; Zhao, Yingjie
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 39
• Pages of publication: 5223 - 5226
• a: 14.2587 ± 0.0001 Å
• b: 18.3783 ± 0.0002 Å
• c: 25.4318 ± 0.0003 Å
• α: 70.965 ± 0.001°
• β: 78.342 ± 0.001°
• γ: 79.57 ± 0.001°
• Cell volume: 6122.15 ± 0.11 ų
• Cell temperature: 169.99 ± 0.11 K
• Ambient diffraction temperature: 169.99 ± 0.11 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.091
• Residual factor for significantly intense reflections: 0.0853
• Weighted residual factors for significantly intense reflections: 0.247
• Weighted residual factors for all reflections included in the refinement: 0.2536
• Goodness-of-fit parameter for all reflections included in the refinement: 2.08
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No