Information card for entry 7719659

Structure parameters

• Formula: Cl4 I2 O7 S2
• Calculated formula: Cl4 I2 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: 7.9212 ± 0.0005 Å
• b: 9.5248 ± 0.0006 Å
• c: 9.6628 ± 0.0006 Å
• α: 103.951 ± 0.002°
• β: 113.986 ± 0.002°
• γ: 100.298 ± 0.002°
• Cell volume: 614.13 ± 0.07 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: 0.0404
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0649
• Weighted residual factors for all reflections included in the refinement: 0.0683
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No