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Crystal structure of [3,10-bis­(4-fluoro­pheneth­yl)-1,3,5,8,10,12-hexa­aza­cyclo­tetra­deca­ne]nickel(II) diperchlorate

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS(2021)

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摘要
The square-planar nickel(II) title complex, [Ni(C24H36F2N6)](ClO4)2 or [NiL](ClO4)2 (L = 3,10-bis­(4-fluoro­pheneth­yl)-1,3,5,8,10,12-hexa­aza­cyclo­tetra­deca­ne) was synthesized by a one-pot reaction of template condensation and its X-ray crystal structure was determined. The nickel(II) ion lies close by a twofold axis and the complex displays whole-mol­ecule disorder. Ligand L, a hexa­aza­cyclo­tetra­decane ring having 4-fluoro­phenethyl side chains attached to uncoordinated nitro­gen atoms, adopts a trans III (R,R,S,S) configuration. The average Ni—N bond distance is 1.934 (9) Å, which is quite similar to those of other nickel(II) complexes with similar ligands. The nickel(II) ion is located 0.051 (7) Å above the least-squares plane through the four coordinated N atoms. The average C—N bond distance and C—N—C angle involving uncoordinated nitro­gen atoms are 1.425 (12) Å and 118.0 (9)°, respectively, indicating a significant contribution of sp2 hybridization for these N atoms. The inter­molecular N—H⋯O, C—H⋯O/F hydrogen bonds of the complex form a network structure, which looks like a seamless floral lace pattern.
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关键词
crystal structure, whole-molecule disorder, 3,10-bis(4-fluorophenethyl)-1,3,5,8,10,12-hexaazacyclotetradecane, 4-fluorophenethyl side chain, nickel(II) complex, trans-III configuration
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