Acta Crystallographica Section C

Crystal Structure Communications

Volume 69, Part 7 (July 2013)

metal-organic compounds

Acta Cryst. (2013). C69, 689-695    [ doi:10.1107/S0108270113013711 ]

Two solvatomorphic forms of a copper complex formulated as Cu(L1)(ClO4)2·1.2H2O and Cu(L1)(ClO4)2, where L1 is 3,10-C-meso-3,5,7,7,10,12,14,14-octa­methyl-1,4,8,11-tetra­aza­cyclo­tetra­decane

B. C. Nath, S. Suarez, F. Doctorovich, T. G. Roy and R. Baggio

Abstract: Two copper complex solvatomorphs, namely (3,10-C-meso-3,5,7,7,10,12,14,14-octa­methyl-1,4,8,11-tetra­aza­cyclo­tetradecane)bis­(perchlorato-[kappa]O)copper(II) 1.2-hydrate, [Cu(ClO4)2(C18H40N4)]·1.2H2O, (I), and (3,10-C-meso-3,5,7,7,10,12,14,14-octa­methyl-1,4,8,11-tetra­aza­cyclo­tetradecane)bis­(perchlor­ato-[kappa]O)copper(II), [Cu(ClO4)2(C18H40N4)], (II), are described and compared with each other and with a third, already reported, anhydrous diastereomer, denoted (III). Both compounds present very similar centrosymmetic coordination environments, with the CuII cation lying on an inversion centre in a distorted 4+2 octa­hedral environment, defined by the macrocyclic N4 group in the equatorial sites and two perchlorate groups in trans-axial positions [one of the perchlorate ligands in (I) is partially disordered]. The most significant difference in mol­ecular shape is seen in the orientation of the perchlorate anions, and the influence of this on the intra­molecular hydrogen bonding is discussed. The (partially) hydrated state of (I) favours the formation of chains along [011], while the anhydrous character of (II) and (III) promotes loosely bound structures with low packing indices.

Formula: [Cu(ClO4)2(C18H40N4)]·1.2H2O and [Cu(ClO4)2(C18H40N4)]

hkldisplay filedownload file

Structure factor file (CIF format) (156.6 kbytes)
[ doi:10.1107/S0108270113013711/sk3486Isup2.hkl ]
Contains datablock I

hkldisplay filedownload file

Structure factor file (CIF format) (162.5 kbytes)
[ doi:10.1107/S0108270113013711/sk3486IIsup3.hkl ]
Contains datablock II


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