Information card for entry 7719660

Structure parameters

• Formula: Li2 O13 S4
• Calculated formula: Li2 O13 S4
• Title of publication: Introducing (inter-)halogen polysulfates - a study on the influence of halogen bonding on weakly coordinating anions.
• Authors of publication: Langwald, Jan; Gomila, Rosa M.; van Gerven, David; Frontera, Antonio; Wickleder, Mathias S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 43
• Pages of publication: 16095 - 16105
• a: 5.1607 ± 0.0004 Å
• b: 21.9573 ± 0.0015 Å
• c: 8.807 ± 0.0006 Å
• α: 90°
• β: 94.233 ± 0.003°
• γ: 90°
• Cell volume: 995.24 ± 0.12 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: 0.061
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0809
• Weighted residual factors for all reflections included in the refinement: 0.0961
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No