title: A moderate distortion of the `picket-fence' porphyrin (cryptand-222)potassium chlorido[meso-α,α,α,α-tetrakis(o-pivalamidophenyl)porphyrinato]ferrate(II) n-hexane monosolvate.
abstract: As representative porphyrin model compounds, the structures of `picket-fence' porphyrins have been studied intensively. The title solvated complex salt {systematic name: (4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane)potassium(I) [5,10,15,20-tetrakis(2-tert-butanamidophenyl)porphyrinato]iron(II) n-hexane monosolvate}, [K(C18H36N2O6)][Fe(C64H64N8O4)Cl]·C6H14 or [K(222)][Fe(TpivPP)Cl]·C6H14 [222 is cryptand-222 or 4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane, and TpivPP is meso-α,α,α,α-tetrakis(o-pivalamidophenyl)porphyrinate(2-)], [K(222)][Fe(TpivPP)Cl]·C6H14, is a five-coordinate high-spin iron(II) picket-fence porphyrin complex. It crystallizes with a potassium cation chelated inside a cryptand-222 molecule; the average K-O and K-N distances are 2.81 (2) and 3.05 (2) Å, respectively. One of the protecting tert-butyl pickets is disordered. The porphyrin plane presents a moderately ruffled distortion, as suggested by the atomic displacements. The axial chloride ligand is located inside the molecular cavity on the hindered porphyrin side and the Fe-Cl bond is tilted slightly off the normal to the porphyrin plane by 4.1°. The out-of-plane displacement of the metal centre relative to the 24-atom mean plane (Δ24) is 0.62 Å, indicating a noticeable doming of the porphyrin core.
authors.affiliation: Research Institute of Applied Chemistry and College of Chemistry and Chemical Engineering, Shanxi University, Taiyuan, Shanxi 030006, People's Republic of China.
authors.forename: Qiang
authors.initials: Q
authors.lastname: Yu
authors.affiliation: Research Institute of Applied Chemistry and College of Chemistry and Chemical Engineering, Shanxi University, Taiyuan, Shanxi 030006, People's Republic of China.
authors.forename: Diansheng
authors.initials: D
authors.lastname: Liu
authors.affiliation: College of Materials Science and Opto-electronic Technology, University of Chinese Academy of Sciences, Yianqi Lake, Huairou District, Beijing 101408, People's Republic of China.
authors.forename: Xiangjun
authors.initials: X
authors.lastname: Li
authors.affiliation: College of Materials Science and Opto-electronic Technology, University of Chinese Academy of Sciences, Yianqi Lake, Huairou District, Beijing 101408, People's Republic of China.
authors.forename: Jianfeng
authors.initials: J
authors.lastname: Li
keywords: 24-atom mean plane; cryptand-222; crystal structure; iron(II); picket-fence porphyrin; potassium; ruffled distortion