Information card for entry 7721138

Structure parameters

• Formula: Cl2 O Se
• Calculated formula: Cl2 O 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: 19.6148 ± 0.0009 Å
• b: 4.3852 ± 0.0002 Å
• c: 28.1888 ± 0.0013 Å
• α: 90°
• β: 98.249 ± 0.002°
• γ: 90°
• Cell volume: 2399.57 ± 0.19 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 3
• 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: 0.0447
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0713
• Weighted residual factors for all reflections included in the refinement: 0.0761
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No