Information card for entry 2205312

Structure parameters

• Chemical name: Bis(1,1,1,5,5,5-hexafluoroacetylacetonato-κ^2^O,O')bis(tetrahydrofuran- κN)iron(II)
• Formula: C18 H18 F12 Fe O6
• Calculated formula: C18 H18 F12 Fe O6
• SMILES: [Fe]12(OC(=CC(=[O]2)C(F)(F)F)C(F)(F)F)(OC(=CC(=[O]1)C(F)(F)F)C(F)(F)F)([O]1CCCC1)[O]1CCCC1
• Title of publication: Bis(1,1,1,5,5,5-hexafluoroacetylacetonato-κ^2^<i>O,O</i>')bis(tetrahydrofuran-κ<i>N</i>)iron(II)
• Authors of publication: Preuss, Kathryn E.; Wu, Jian; Jennings, Michael, C.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 3
• Pages of publication: m430 - m432
• a: 18.0117 ± 0.0005 Å
• b: 20.208 ± 0.0006 Å
• c: 12.8156 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4664.6 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0656
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.1014
• Weighted residual factors for all reflections included in the refinement: 0.1125
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes