Information card for entry 7048396

Structure parameters

• Formula: C20 H40 F12 Fe4 N2 O S8
• Calculated formula: C20 H40 F12 Fe4 N2 O 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: 13.4591 ± 0.0004 Å
• b: 21.789 ± 0.0005 Å
• c: 13.3532 ± 0.0003 Å
• α: 90°
• β: 90.297 ± 0.002°
• γ: 90°
• Cell volume: 3915.91 ± 0.17 ų
• Cell temperature: 287.58 ± 0.1 K
• Ambient diffraction temperature: 287.58 ± 0.1 K
• Number of distinct elements: 7
• 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: 0.0945
• Residual factor for significantly intense reflections: 0.0724
• Weighted residual factors for significantly intense reflections: 0.1487
• Weighted residual factors for all reflections included in the refinement: 0.1573
• Goodness-of-fit parameter for all reflections included in the refinement: 1.25
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No