Journal of Molecular Structure, ( ISI ), Volume (1173), No (1), Year (2018-9) , Pages (697-706)

Title : ( The first Fe(II) complex bearing end-to-end dicyanamide as a double bridging ligand: Crystallography study and Hirshfeld surface analysis; completed with a CSD survey )

Authors: Z. Setifi , D. Geiger , Ch. Jelsch , Th. Maris , Ch. Glidewell , Masoud Mirzaei Shahrabi , Mina Arefian , F. Setifi ,

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Abstract

Two new polymeric, one and two-dimensional compounds [Fe(dmbpy)(μ1,5-dca)2] (1) and [Fe(4,4'-bpy)(μ1,5-dca)2].0.24(4,4'-bpy).0.5(EtOH) (2), in which dmbpy=5,5'-dimethylbipyridine, dca = dicyanamide and 4,4'-bpy = 4,4'-bipyridine, has been synthesized under solvothermal conditions and fully characterized by elemental analysis, FT-IR spectroscopy and X-ray single crystal diffraction. Compound 1, with a rare coordination environment, is the only well-known example in which end-to-end double bridged dca ligands and a bidentate bulky aromatic ligand (dmbpy) are coordinated simultaneously to the iron center. Structural analysis of compound 2 showed it is a novel two-dimensional coordination polymer, constructed from repetition of 4,4'-bpy and dca as a bidentate bridging ligand. Changing the co-ligand to 4,4'-bpy, lead to completely different structure geometry and network, which confirms the substantial effect of co-ligand. Furthermore, Hirshfeld surfaces analyses have been performed to help understand the packing.

Keywords

Crystal engineering; Iron; Dicyanamide; Double bridge; Hirshfeld surface analysis.
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@article{paperid:1069151,
author = {Z. Setifi and D. Geiger and Ch. Jelsch and Th. Maris and Ch. Glidewell and Mirzaei Shahrabi, Masoud and and F. Setifi},
title = {The first Fe(II) complex bearing end-to-end dicyanamide as a double bridging ligand: Crystallography study and Hirshfeld surface analysis; completed with a CSD survey},
journal = {Journal of Molecular Structure},
year = {2018},
volume = {1173},
number = {1},
month = {September},
issn = {0022-2860},
pages = {697--706},
numpages = {9},
keywords = {Crystal engineering; Iron; Dicyanamide; Double bridge; Hirshfeld surface analysis.},
}

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%0 Journal Article
%T The first Fe(II) complex bearing end-to-end dicyanamide as a double bridging ligand: Crystallography study and Hirshfeld surface analysis; completed with a CSD survey
%A Z. Setifi
%A D. Geiger
%A Ch. Jelsch
%A Th. Maris
%A Ch. Glidewell
%A Mirzaei Shahrabi, Masoud
%A
%A F. Setifi
%J Journal of Molecular Structure
%@ 0022-2860
%D 2018

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