Information card for entry 7720878

Structure parameters

• Formula: C12 H10 Co N4 Se2
• Calculated formula: C12 H10 Co N4 Se2
• Title of publication: Disentangling anisotropy and exchange in Co(NCX)₂ (X = S, Se) chains via THz-EPR spectroscopy
• Authors of publication: Beyer, Jooris; Böhme, Michael; Rams, Michał; Nather, Christian; Plass, Winfried
• Journal of publication: Dalton Transactions
• Year of publication: 2026
• a: 7.7633 ± 0.0002 Å
• b: 8.9175 ± 0.0002 Å
• c: 16.6894 ± 0.0003 Å
• α: 95.925 ± 0.002°
• β: 97.808 ± 0.002°
• γ: 112.002 ± 0.002°
• Cell volume: 1046.27 ± 0.04 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0339
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.099
• Weighted residual factors for all reflections included in the refinement: 0.0998
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No