Information card for entry 4305235

Structure parameters

• Common name: K[FeIIIH1iPr(OH)].1.5Et2O
• Chemical name: Potassium {[(N'-tert-butylureayl)-N-ethyl]-bis (N''-isopropylcarbamoylmethyl)-aminato(hydroxo)ferrate(III)}
• Formula: C23 H46.5 Fe K N6.5 O5.5
• Calculated formula: C23 H46.5 Fe K N6.5 O5.5
• Title of publication: Synthesis, Structure, and Physical Properties for a Series of Monomeric Iron(III) Hydroxo Complexes with Varying Hydrogen-Bond Networks
• Authors of publication: Jhumpa Mukherjee; Robie L. Lucas; Matthew K. Zart; Douglas R. Powell; Victor W. Day; A. S. Borovik
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 5780 - 5786
• a: 25.175 ± 0.003 Å
• b: 9.8523 ± 0.0012 Å
• c: 26.326 ± 0.003 Å
• α: 90°
• β: 107.612 ± 0.003°
• γ: 90°
• Cell volume: 6223.6 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0327
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.081
• Weighted residual factors for all reflections included in the refinement: 0.0831
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No