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Molecular Structure of the Macrocyclic Ligand Complex (5, 7, 12, 14‐Tetraethyl‐7, 14‐Dimethyl‐1, 4, 8, 11‐Tetraazacyclotetra Decane) Nickel (II) Perchlorate
Author(s) -
Lee T. J.,
Lu T. H.,
Liang B. F.,
Chung C. S.,
Lee T. Y.
Publication year - 1981
Publication title -
journal of the chinese chemical society
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.329
H-Index - 45
eISSN - 2192-6549
pISSN - 0009-4536
DOI - 10.1002/jccs.198100035
Subject(s) - chemistry , crystallography , orthorhombic crystal system , perchlorate , molecule , hydrogen bond , ring (chemistry) , nickel , ligand (biochemistry) , decane , ionic bonding , covalent bond , crystal structure , stereochemistry , ion , organic chemistry , biochemistry , receptor
Abstract The structure of macrocyclic ligand complex, (5, 7, 12, 14‐tetraethyl‐7, 14‐dimethyl‐1, 4, 8, 11‐tetraazacyclotetra decane)·Ni II ·(C l O 4 ) 2 has been determined by X‐ray diffraction with three dimensional counter data. This compound, C 20 H 44 N 4 Ni II ·(C l O 4 ) 2 , crystallizes in orthorhombic space group Pbca, with cell parameters a =14.369, b =11.752, c =16.207 A , V =2736.8 A 3 , determined from Syntex Pl autodiffractomter. The formula weight (598.21) and a measured density of 1.45 gm cm −3 (by flotation) indicate the presence of four molecules per unit cell ( D c =1.452 gm cm −3 ). The structure was solved, using Patterson and Fourier methods and refined by full‐matrix least‐squares techniques to a reliability index, R ( F ) of 0.09, based on 1480 independent observed data corrected for absorption, L‐p factors. In this molecule, in addition to the usual covalent and ionic bonds, there exist two hydrogen bonds between the perchlorate ions and the amine groups. The Ni and the four N atoms are coplanar. The six membered ring subtends a larger angle (93.5(3)°) over the Ni atom than the five membered ring (86.5(3)°) does. The former belongs to the chair form and the latter pertains to the gauche form.