Information card for entry 7721137

Structure parameters

• Formula: I8 O29 S9 Se4
• Calculated formula: I8 O29 S9 Se4
• 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: 9.938 ± 0.0012 Å
• b: 10.1369 ± 0.0013 Å
• c: 10.4593 ± 0.0015 Å
• α: 102.28 ± 0.005°
• β: 97.127 ± 0.005°
• γ: 94.689 ± 0.005°
• Cell volume: 1015.2 ± 0.2 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: 0.0465
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.079
• Weighted residual factors for all reflections included in the refinement: 0.0829
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No