Information card for entry 4305234

Structure parameters

• Common name: K[FeIII0iPr(OH)]DMF
• Chemical name: Potassium {Tris[(N-isopropylcarbamoylmethyl)-aminato(hydroxo)ferrate(III)}
• Formula: C18 H35 Fe K N5 O5
• Calculated formula: C18 H35 Fe K N5 O5
• SMILES: [K+].[Fe]123(O)[N](CC(=O)N1C(C)C)(CC(=O)N2C(C)C)CC(=O)N3C(C)C.O=CN(C)C
• 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: 9.337 ± 0.003 Å
• b: 10.853 ± 0.004 Å
• c: 12.494 ± 0.004 Å
• α: 83.514 ± 0.005°
• β: 86.045 ± 0.005°
• γ: 83.144 ± 0.005°
• Cell volume: 1247 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0648
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for significantly intense reflections: 0.1505
• Weighted residual factors for all reflections included in the refinement: 0.1603
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No