Information card for entry 1573868

Structure parameters

• Formula: C25 H10 Cl10 N
• Calculated formula: C25 H10 Cl10 N
• SMILES: Clc1c(C(=[N](c2cc(Cl)cc(Cl)c2)c2cc(Cl)cc(Cl)c2)c2c(Cl)cc(Cl)cc2Cl)c(Cl)cc(Cl)c1
• Title of publication: Stable luminescent diphenylamine biphenylmethyl radicals with α-type D₀ → D₁ transition and antiferromagnetic properties.
• Authors of publication: Gao, Shengxiang; Wu, Chunxiao; Zhang, Ming; Li, Feng
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 11
• Pages of publication: 4668 - 4675
• a: 8.305 ± 0.0015 Å
• b: 8.8068 ± 0.0017 Å
• c: 19.111 ± 0.004 Å
• α: 97.232 ± 0.007°
• β: 96.934 ± 0.007°
• γ: 95.16 ± 0.007°
• Cell volume: 1368.7 ± 0.5 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 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: 0.0676
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for significantly intense reflections: 0.1316
• Weighted residual factors for all reflections included in the refinement: 0.1431
• Goodness-of-fit parameter for all reflections included in the refinement: 1.137
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No