BINUCLEAR METALLOCYCLIC COMPLEX OF A NON-MACROCYCLIC POLYHYDROIMIDAZOLE LIGAND - STRUCTURE OF BIS(MU-[1,2,4,5-TETRAKIS(4,5-DIHYDROIMIDAZOL-2-YL)BENZENE]-1-KAPPA-2N3,N3'-2-KAPPA-2N3'',N3''')-BIS[ISOTHIOCYANATOCOPPER(II)] DITHIOCYANATE, [CU2(C18H22N8)2(NCS)2](NCS)2, AND THE POTENTIAL LIGAND 1,2,4,5-TETRAKIS-(BENZOTHIAZOL-2-YL)BENZENE, C34H18N4S4

被引:3
|
作者
MCCARTHY, CJ
THOMPSON, LK
NEWLANDS, MJ
HYNES, RC
机构
[1] MEM UNIV NEWFOUNDLAND,DEPT CHEM,ST JOHNS A1B 3X7,NEWFOUNDLAND,CANADA
[2] NATL RES COUNCIL CANADA,DIV CHEM,OTTAWA K1A 0R6,ONTARIO,CANADA
关键词
D O I
10.1107/S0108270191010120
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
(I) [Cu2(C18H22N8)2(NCS)2](NCS)2, M(r) = 1060.27, monoclinic, P2(1)/n, a = 14.381 (4), b = 10.834 (3), c = 15.824 (4) angstrom, beta = 108.988 (20)-degrees, V = 2331.3 (10) angstrom 3, Z = 2, D(x) = 1.510 g cm-3, lambda(Mo K-alpha) = 0.70930 angstrom, mu = 11.4 cm-1, F(000) = 1092, T = 295 (1) K, R = 0.071, wR = 0.050 for 1999/3032 unique reflections with I > 2.5-sigma(I). (II) C34H18N4S4, M(r) = 610.81, monoclinic, P2(1)/c, a = 9.7550 (9), b = 5.9547 (5), c = 23.8871 (24) angstrom, beta = 90.783 (8)-degrees, V = 1387.43 (22) angstrom 3, Z = 2, D(x) = 1.462 g cm-3, lambda(Cu K-alpha) = 1.54056 angstrom, mu = 33.5 cm-1, F(000) = 628, T = 295 (1) K, R = 0.047, wR = 0.032 for 1594/2054 unique reflections with I > 2.5-sigma(I). (I) has a large Cu...Cu distance [7.472 (10) angstrom] with each five-coordinate Cu atom displaced by 0.259 (5) angstrom from the N4 plane, and an empty cavity with a parallel benzene ring separation of 4.236 (12) angstrom. (II) displays severe twisting of the benzothiazole rings, which may be the reason for its lack of donor function.
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页码:430 / 433
页数:4
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