Information card for entry 7128158

Structure parameters

• Formula: C34 H33 P S
• Calculated formula: C34 H33 P S
• SMILES: P(c1cccc2cccc(Sc3ccccc3)c12)(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C
• Title of publication: Persistent 2<i>c</i>-3<i>e</i> σ-bonded heteronuclear radical cations centered on S/Se and P/As atoms.
• Authors of publication: Yang, Wenbang; Wang, Wenqing; Zhang, Leran; Zhang, Li; Ruan, Huapeng; Feng, Zhongtao; Fang, Yong; Wang, Xinping
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 41
• Pages of publication: 5067 - 5070
• a: 10.468 ± 0.0004 Å
• b: 11.2779 ± 0.0004 Å
• c: 13.2284 ± 0.0005 Å
• α: 66.285 ± 0.001°
• β: 69.186 ± 0.001°
• γ: 78.163 ± 0.001°
• Cell volume: 1332.98 ± 0.09 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0433
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.0974
• Weighted residual factors for all reflections included in the refinement: 0.1017
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No