Information card for entry 4325589

Structure parameters

• Formula: C85 H48 F25 Fe O5 P2
• Calculated formula: C85 H48 F25 Fe O5 P2
• SMILES: [Fe](Oc1c(F)c(F)c(F)c(F)c1F)(Oc1c(F)c(F)c(F)c(F)c1F)(Oc1c(F)c(F)c(F)c(F)c1F)(Oc1c(F)c(F)c(F)c(F)c1F)Oc1c(F)c(F)c(F)c(F)c1F.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.c1(ccccc1)C
• 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: 15.2752 ± 0.0008 Å
• b: 15.882 ± 0.0009 Å
• c: 16.8909 ± 0.0009 Å
• α: 73.587 ± 0.001°
• β: 68.823 ± 0.001°
• γ: 88.268 ± 0.001°
• Cell volume: 3653.5 ± 0.3 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 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: 0.0603
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.1314
• Weighted residual factors for all reflections included in the refinement: 0.1388
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No