Information card for entry 7242149

Structure parameters

• Formula: C41 H43 Cl0.5 N3 O2 S4
• Calculated formula: C42 H49 Cl2 N2 O2 S2
• Title of publication: The roles of fused-ring organic semiconductor treatment on SnO2 in enhancing perovskite solar cell performance
• Authors of publication: Ren, Lu; Liang, Lusheng; Zhang, Zhuangzhuang; Zhang, Zilong; Xiong, Qiu; Zhao, Nan; Yu, Yaming; Scopelliti, Rosario; Gao, Peng
• Journal of publication: RSC Advances
• Year of publication: 2021
• Journal volume: 11
• Journal issue: 7
• Pages of publication: 3792 - 3800
• a: 12.4138 ± 0.0009 Å
• b: 13.9061 ± 0.0011 Å
• c: 14.3368 ± 0.0011 Å
• α: 65.911 ± 0.003°
• β: 66.25 ± 0.002°
• γ: 69.431 ± 0.003°
• Cell volume: 2015.6 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0807
• Residual factor for significantly intense reflections: 0.0584
• Weighted residual factors for significantly intense reflections: 0.1524
• Weighted residual factors for all reflections included in the refinement: 0.1775
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No