Information card for entry 7252117

Structure parameters

• Formula: C32 H21 N10
• Calculated formula: C32 H21 N10
• Title of publication: Elucidation of the structural and magnetic properties of the anion-radical salt (Et-3,5-diMe-Pz)(TCNQ)2
• Authors of publication: Čižmár, Erik; Holub, Mariia; Šoltésová, Daniela; Tkáč, Vladimír; Doležal, Petr; Kriegner, Dominik; Eigner, Václav; Dušek, Michal; Ziolkovskiy, Dmitry; Meisel, Mark W.; Feher, Alexander
• Journal of publication: Physical Chemistry Chemical Physics
• Year of publication: 2026
• a: 7.8658 ± 0.0003 Å
• b: 13.1568 ± 0.0005 Å
• c: 13.8695 ± 0.0004 Å
• α: 89.38 ± 0.003°
• β: 76.884 ± 0.003°
• γ: 80.584 ± 0.003°
• Cell volume: 1378.54 ± 0.09 ų
• Cell temperature: 95 ± 0.2 K
• Ambient diffraction temperature: 95 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: 0.0469
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.1083
• Weighted residual factors for all reflections included in the refinement: 0.1118
• Goodness-of-fit parameter for significantly intense reflections: 1.84
• Goodness-of-fit parameter for all reflections included in the refinement: 1.71
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No