Received 31 May 2013
The crystal structure of [Cr(NCS)2(cyclam)]NCS (cyclam = 1,4,8,11-tetraazacyclotetradecane, C10H24N4) has been determined by using synchrotron radiation at 98 K. The CrIII atom is in a slightly distorted octahedral environment with four N atoms of the macrocyclic ligand and two N-coordinated NCS- anions in cis positions. The average Cr-N(cyclam) and Cr-NCS bond lengths are 2.085 (5) and 1.996 (15) Å, respectively. In the crystal, the uncoordinating SCN- anion is hydrogen bonded through N-HS and N-HN interactions to neighbouring complex cations.
For the synthesis, see: Ferguson & Tobe (1970); For spectroscopic studies, see: Choi & Park (2003); Poon & Pun (1980). For related structures, see: Forsellini et al. (1986); Friesen et al. (1997); Meyer et al. (1998); Choi et al. (2004a,b, 2009); Subhan et al. (2011).
Data collection: ADSC Quantum-210 ADX (Arvai & Nielsen, 1983); cell refinement: HKL-3000 (Otwinowski & Minor, 1997); data reduction: HKL-3000; program(s) used to solve structure: SHELXS2013 (Sheldrick, 2008); program(s) used to refine structure: SHELXL2013 (Sheldrick, 2008); molecular graphics: DIAMOND (Brandenburg, 2007); software used to prepare material for publication: WinGX (Farrugia, 2012).
Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: LR2107 ).
The research was supported by a grant from the 2012 International Academic Exchange Program of Andong National University. The experiment at PLS-II 2D-SMC beamline was supported in part by MEST and POSTECH.
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