Information card for entry 7719661

Structure parameters

• Formula: Cl2 H I O7 S2
• Calculated formula: Cl2 H I O7 S2
• 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: 5.3543 ± 0.0003 Å
• b: 8.4943 ± 0.0005 Å
• c: 9.8162 ± 0.0007 Å
• α: 82.489 ± 0.002°
• β: 78.136 ± 0.002°
• γ: 85.217 ± 0.002°
• Cell volume: 432.43 ± 0.05 ų
• Cell temperature: 104 K
• Ambient diffraction temperature: 104 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0286
• Residual factor for significantly intense reflections: 0.0261
• Weighted residual factors for significantly intense reflections: 0.0589
• Weighted residual factors for all reflections included in the refinement: 0.0602
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No