Information card for entry 2243119

Structure parameters

• Chemical name: Tetrakis(tetrahydrofuran-κ<i>O</i>)bis(trifluoromethanesulfonato-κ<i>O</i>)iron(II)
• Formula: C18 H32 F6 Fe O10 S2
• Calculated formula: C18 H32 F6 Fe O10 S2
• SMILES: [Fe](OS(=O)(=O)C(F)(F)F)(OS(=O)(=O)C(F)(F)F)([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1
• Title of publication: Crystal structure of tetrakis(tetrahydrofuran-κ<i>O</i>)bis(trifluoromethanesulfonato-κ<i>O</i>)iron(II)
• Authors of publication: Riemersma, Charl F.; Monkcom, Emily C.; Klein Gebbink, Robertus J. M.; Lutz, Martin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 10
• Pages of publication: 1548 - 1551
• a: 8.6618 ± 0.0003 Å
• b: 16.261 ± 0.0006 Å
• c: 19.0572 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2684.2 ± 0.15 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0198
• Residual factor for significantly intense reflections: 0.0191
• Weighted residual factors for significantly intense reflections: 0.0508
• Weighted residual factors for all reflections included in the refinement: 0.0512
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes