Information card for entry 7048395

Structure parameters

• Chemical name: (Me4N)2(Fe4S4(SMe)4)
• Formula: C12 H36 Fe4 N2 S8
• Calculated formula: C12 H36 Fe4 N2 S8
• Title of publication: Energy storage inspired by nature - ionic liquid iron-sulfur clusters as electrolytes for redox flow batteries.
• Authors of publication: Modrzynski, Christian; Burger, Peter
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 6
• Pages of publication: 1941 - 1946
• a: 10.8738 ± 0.0006 Å
• b: 18.0751 ± 0.001 Å
• c: 14.0504 ± 0.0008 Å
• α: 90°
• β: 97.333 ± 0.001°
• γ: 90°
• Cell volume: 2738.9 ± 0.3 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0172
• Residual factor for significantly intense reflections: 0.0168
• Weighted residual factors for significantly intense reflections: 0.0404
• Weighted residual factors for all reflections included in the refinement: 0.0405
• Goodness-of-fit parameter for all reflections included in the refinement: 1.242
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No