Information card for entry 7721136

Structure parameters

• Formula: Cl4 O3 S Se
• Calculated formula: Cl4 O3 S Se
• Title of publication: Chalcogen Bonding vs. Weakly Coordinating Anions – A Solid State Study on Halidoselenium Cations in an Oxoanionic Environment
• Authors of publication: Langwald, Jan; Burguera Piña, Sergi; Frontera, Antonio; Wickleder, Mathias Siegfried
• Journal of publication: Dalton Transactions
• Year of publication: 2026
• a: 9.196 ± 0.0004 Å
• b: 9.5899 ± 0.0003 Å
• c: 18.7926 ± 0.0008 Å
• α: 100.66 ± 0.002°
• β: 97.718 ± 0.002°
• γ: 102.121 ± 0.001°
• Cell volume: 1566.32 ± 0.11 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0541
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.0874
• Weighted residual factors for all reflections included in the refinement: 0.0935
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No