Information card for entry 7135218

Structure parameters

• Formula: C31 H41 N6
• Calculated formula: C31 H41 N6
• Title of publication: Multistage control of near-infrared and magnetic properties <i>via</i> π-dimer modulation in TCNQ radical anion salts.
• Authors of publication: Shu, Ruifeng; Naota, Takeshi; Shiomi, Daisuke; Suzuki, Shuichi
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 87
• Pages of publication: 17021 - 17024
• a: 13.9813 ± 0.0009 Å
• b: 15.2468 ± 0.0006 Å
• c: 15.1459 ± 0.0008 Å
• α: 90°
• β: 112.159 ± 0.007°
• γ: 90°
• Cell volume: 2990.2 ± 0.3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.135
• Residual factor for significantly intense reflections: 0.0643
• Weighted residual factors for significantly intense reflections: 0.1739
• Weighted residual factors for all reflections included in the refinement: 0.2147
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No