Information card for entry 7719662

Structure parameters

• Formula: I12 O29 S9
• Calculated formula: I12 O29 S9
• 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: 15.356 ± 0.0008 Å
• b: 13.916 ± 0.0008 Å
• c: 20.8785 ± 0.0013 Å
• α: 90°
• β: 103.504 ± 0.002°
• γ: 90°
• Cell volume: 4338.3 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 3
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0409
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.0832
• Weighted residual factors for all reflections included in the refinement: 0.0838
• Goodness-of-fit parameter for all reflections included in the refinement: 1.194
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No