Acta Crystallographica Section C

Crystal Structure Communications

Volume 69, Part 12 (December 2013)


metal-organic compounds



Acta Cryst. (2013). C69, 1498-1502    [ doi:10.1107/S0108270113031429 ]

Supra­molecular architecture of metal-organic frameworks involving dinuclear copper paddle-wheel complexes

S. Gomathi and P. T. Muthiah

Abstract: The two centrosymmetric dinuclear copper paddle-wheel complexes tetra­kis­([mu]-4-hy­droxy­benzoato-[kappa]2O:O')bis­[aqua­copper(II)] di­methyl­formamide disolvate dihydrate, [Cu2(C7H5O3)4(H2O)2]·2C3H7NO·2H2O, (I), and tetra­kis­([mu]-4-meth­oxy­benzoato-[kappa]2O:O')bis­[(di­methyl­formamide-[kappa]O)copper(II)], [Cu2(C8H7O3)4(C3H7NO)2], (II), crystallize with half of the dinuclear paddle-wheel cage unit in the asymmetric unit and, in addition, complex (I) has one di­methyl­formamide (DMF) and one water solvent mol­ecule in the asymmetric unit. In both (I) and (II), two CuII ions are bridged by four syn,syn-[eta]1:[eta]1:[mu] carboxyl­ate groups, showing a paddle-wheel cage-type structure with a square-pyramidal coordination geometry. The equatorial positions of (I) and (II) are occupied by the carboxyl­ate groups of 4-hy­droxy- and 4-meth­oxy­benzoate ligands, and the axial positions are occupied by aqua and DMF ligands, respectively. The three-dimensional supra­molecular metal-organic framework of (I) consists of three different R22(20) and an R44(36) ring motif formed via O-H...O and OW-HW...O hydrogen bonds. Complex (II) simply packs as mol­ecular species.

CCDC references: 853464 and 853465

Formula: [Cu2(C7H5O3)4(H2O)2]·2C3H7NO·2H2O and an analogue

Keywords: crystal structure; metal-organic frameworks; MOFs; dinuclear copper complexes; paddle-wheel complexes; hydrogen-bonded ring motifs.


hkldisplay filedownload file

Structure factor file (CIF format) (355.2 kbytes)
[ doi:10.1107/S0108270113031429/ov3037Isup2.hkl ]
Contains datablock I


hkldisplay filedownload file

Structure factor file (CIF format) (166.9 kbytes)
[ doi:10.1107/S0108270113031429/ov3037IIsup3.hkl ]
Contains datablock II


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