Information card for entry 4325593

Structure parameters

• Formula: C67 H56 F30 Fe2 K2 O19
• Calculated formula: C60 H48 F30 Fe2 K2 O19
• SMILES: [K]12345([O]6CC[O]1CC[O]2CC[O]3CC[O]4CC[O]5CC6)[O](c1c(c(c(c(c1F)F)F)F)F)[Fe](Oc1c(F)c(c(c(c1F)F)F)F)(Oc1c(F)c(c(c(c1F)F)F)F)O[Fe](Oc1c(c(c(c(c1F)F)F)F)F)(Oc1c(c(c(c(c1F)F)F)F)F)[O](c1c(c(c(c(c1F)F)F)F)F)[K]12345[O]6CC[O]1CC[O]2CC[O]3CC[O]4CC[O]5CC6
• Title of publication: Synthesis with Structural and Electronic Characterization of Homoleptic Fe(II)- and Fe(III)-Fluorinated Phenolate Complexes
• Authors of publication: Stefanie A. Cantalupo; Helen E. Ferreira; Eman Bataineh; Annie J. King; Montana V. Petersen; Teresa Wojtasiewicz; Antonio G. DiPasquale; Arnold L. Rheingold; Linda H. Doerrer
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 6584 - 6596
• a: 13.299 ± 0.0014 Å
• b: 13.371 ± 0.0014 Å
• c: 14.0097 ± 0.0014 Å
• α: 113.923 ± 0.001°
• β: 103.604 ± 0.001°
• γ: 103.918 ± 0.001°
• Cell volume: 2049 ± 0.4 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0406
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0897
• Weighted residual factors for all reflections included in the refinement: 0.093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No