Information card for entry 7720585

Structure parameters

• Chemical name: (2,7-dimethoxynaphtalene peri-diselenide) tetrachloroferrate
• Formula: C12 H10 Cl4 Fe O2 Se2
• Calculated formula: C12 H10 Cl4 Fe O2 Se2
• Title of publication: Chalcogen bond activation in cation radical salts of naphthalene peri-diselenides with S = 5/2 magnetic anions
• Authors of publication: Pariyacheri Padikkal, Hrudya; Jeannin, Olivier; Rouzières, Mathieu; Clérac, Rodolphe; Jeon, Ie-Rang; Fourmigué, Marc
• Journal of publication: Dalton Transactions
• Year of publication: 2026
• a: 6.8876 ± 0.0006 Å
• b: 24.25 ± 0.002 Å
• c: 10.5956 ± 0.001 Å
• α: 90°
• β: 102.284 ± 0.003°
• γ: 90°
• Cell volume: 1729.2 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0302
• Residual factor for significantly intense reflections: 0.0242
• Weighted residual factors for significantly intense reflections: 0.0463
• Weighted residual factors for all reflections included in the refinement: 0.0479
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No