Information card for entry 7135220

Structure parameters

• Formula: C30 H44 N5
• Calculated formula: C30 H44 N5
• 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: 11.9464 ± 0.0003 Å
• b: 14.9849 ± 0.0005 Å
• c: 17.3068 ± 0.0006 Å
• α: 67.949 ± 0.003°
• β: 89.902 ± 0.002°
• γ: 84.01 ± 0.003°
• Cell volume: 2853.52 ± 0.17 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1363
• Residual factor for significantly intense reflections: 0.0613
• Weighted residual factors for significantly intense reflections: 0.1536
• Weighted residual factors for all reflections included in the refinement: 0.1878
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No