Information card for entry 1573869

Structure parameters

• Chemical name: 2PhN-BTM
• Formula: C25 H14 Cl6 N
• Calculated formula: C25 H14 Cl6 N
• SMILES: Clc1cc(Cl)cc(Cl)c1C(c1c(Cl)cc(Cl)cc1Cl)=[N](c1ccccc1)c1ccccc1
• 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: 16.4717 ± 0.0016 Å
• b: 8.3566 ± 0.0009 Å
• c: 17.0028 ± 0.0018 Å
• α: 90°
• β: 103.423 ± 0.004°
• γ: 90°
• Cell volume: 2276.5 ± 0.4 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0283
• Residual factor for significantly intense reflections: 0.0248
• Weighted residual factors for significantly intense reflections: 0.0577
• Weighted residual factors for all reflections included in the refinement: 0.0595
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No