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Di-μ-thocyanato-bis{2-bromo-4-chloro-6-[(2-methylaminoethylimino)methyl]phenolatocopper(II)}

✍ Scribed by Zhang, Ping


Publisher
International Union of Crystallography
Year
2007
Tongue
English
Weight
344 KB
Volume
63
Category
Article
ISSN
1600-5368

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✦ Synopsis


The title compound, [Cu 2 (C 10 H 11 BrClN 2 O) 2 (NCS) 2 ], is a centrosymmetric dithiocyanate-bridged binuclear copper(II) complex. The Cu II atoms are pentacoordinated by the N,N 0 ,Odonor atoms of the Schiff base ligand 2-bromo-4-chloro-6-[(2methylaminoethylimino)methyl]phenol (HBCP), and by one N and one S atom from two symmetry-related thiocyanate anions, so forming a slightly distorted square-pyramidal coordination configuration. The CuÁ Á ÁCu distance is 5.480 (2) A ˚.

Related literature

For related literature, see: Zhang (2004).

Experimental

Crystal data [Cu 2 (C 10 H 11 BrClN 2 O) 2 (NCS) 2 ] M r = 824.38 Monoclinic, C2=c a = 7.2440 (14) A b = 19.693 (4) A c = 21.128 (4) A = 90.98 (3) V = 3013.6 (10) A ˚3 Z = 4 Mo K radiation = 4.41 mm À1 T = 298 (2) K 0.23 Â 0.20 Â 0.20 mm

Data collection Bruker SMART CCD area-detector diffractometer Absorption correction: multi-scan (SADABS; Sheldrick, 1996) T min = 0.430, T max = 0.472 (expected range = 0.377-0.414) 12868 measured reflections 3443 independent reflections 2187 reflections with I > 2(I) R int = 0.064 Refinement R[F 2 > 2(F 2 )] = 0.048 wR(F 2 ) = 0.115 S = 0.99 3443 reflections 176 parameters 1 restraint H atoms treated by a mixture of independent and constrained refinement Á max = 0.51 e A ˚À3 Á min = À0.44 e A ˚À3


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