Information card for entry 7128161

Structure parameters

• Formula: C34 H33 As Se
• Calculated formula: C34 H33 As Se
• SMILES: [As](c1cccc2cccc([Se]c3ccccc3)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: 10.4307 ± 0.0004 Å
• b: 11.4296 ± 0.0004 Å
• c: 13.3226 ± 0.0004 Å
• α: 66.958 ± 0.001°
• β: 69.688 ± 0.001°
• γ: 79.648 ± 0.001°
• Cell volume: 1368.93 ± 0.08 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: 0.0274
• Residual factor for significantly intense reflections: 0.0258
• Weighted residual factors for significantly intense reflections: 0.07
• Weighted residual factors for all reflections included in the refinement: 0.0713
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No