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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
Author(s) -
Yu Qiang,
Liu Diansheng,
Li Xiangjun,
Li Jianfeng
Publication year - 2015
Publication title -
acta crystallographica section c
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.304
H-Index - 17
ISSN - 2053-2296
DOI - 10.1107/s2053229615015478
Subject(s) - porphyrin , chemistry , cryptand , crystallography , potassium , ligand (biochemistry) , stereochemistry , photochemistry , organic chemistry , ion , biochemistry , receptor
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(C 18 H 36 N 2 O 6 )][Fe(C 64 H 64 N 8 O 4 )Cl]·C 6 H 14 or [K(222)][Fe(TpivPP)Cl]·C 6 H 14 [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]·C 6 H 14 , 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 (Δ 24 ) is 0.62 Å, indicating a noticeable doming of the porphyrin core.