Information card for entry 7718273

Structure parameters

• Formula: C4 H12 B F4 Na5 O12 S4
• Calculated formula: C4 H12 B F4 Na5 O12 S4
• Title of publication: Synthesis and large crystal growth of a family of mixed-anionic methanesulfonate salts by anionic site-substitution: Na₅(SO₃CH₃)₄(X) (X = BF₄^-, ClO₄^-, PF₆^-, I^-).
• Authors of publication: Gabilondo, Eric A.; Halasyamani, P. Shiv
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 13
• Pages of publication: 5301 - 5310
• a: 12.524 ± 0.004 Å
• b: 5.5342 ± 0.0015 Å
• c: 15.001 ± 0.004 Å
• α: 90°
• β: 102.878 ± 0.004°
• γ: 90°
• Cell volume: 1013.6 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0358
• Residual factor for significantly intense reflections: 0.0288
• Weighted residual factors for significantly intense reflections: 0.0776
• Weighted residual factors for all reflections included in the refinement: 0.0819
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No