Dalton Transactions
Paper
complex unit (H atoms not assigned to the water at half occu- of Science and Technology (DST), New Delhi, for providing
pancy). Hydrogen atoms were placed at calculated positions single crystal diffractometer facility at the Department of
and those of lattice water molecules were located on the Chemistry, University of Calcutta, through the DST-FIST
Fourier map and refined. In compound 1 the carbon atoms of program.
the –CH2–N(3)(Me)2 group was found disordered and refined
over two conformations with occupancies of 0.610(13)/
0.390(13) and the same disorder was found in 7 both the
5-membered chelate rings (refined occupancies of 0.629(10)/
0.371(10) and 0.562(9)/0.438(9)). In 3, 4 and 5 the tert-butyl
References
group was successfully split over two positions (refined occu-
pancies of 0.516(18)/0.484(18), 0.505(10)/0.495(10) and
0.875(9)/0.125(9), respectively). The carbon atoms of disordered
groups in 3, 4 and 7 were isotropically refined. In 2 the N(5)–
C(27)–S(1) anion presents N–C and C–S bond distances of
0.914(5) and 1.711(6) Å, possibly contaminated by another
ligand, however not evident from ΔFmap.
All calculations were performed using the WinGX System,
Ver 1.80.05.29 Crystal data and details of refinements are given
in Table 1. CCDC 942021–942027 for 1–7 and CCDC 942029
for 8 contain the supplementary crystallographic data for this
paper.
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Conclusions
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Acknowledgements
The authors wish to thank CSIR, New Delhi [CSIR project No. 16 A. Biswas, L. K. Das, M. G. Drew, G. Aromí, P. Gamez and
01(2464)/11/EMR-II dated 16-05-2011] for financial support. A. Ghosh, Inorg. Chem., 2012, 51, 7993–8001.
We are thankful to Dr P. Ghosh, Dept. of Chemistry, 17 (a) S. Mandal, J. Mukherjee, F. Lloret and R. Mukherjee,
R. K. Mission Residential College, Narendrapur, Kolkata for
spectroelectrochemical analyses. PKS thanks CSIR; TG and JA
thank UGC for the fellowship. We also thank the Department
Inorg. Chem., 2012, 51, 13148–13161; (b) S. Fukuzumi,
L. Tahsini, Y. M. Lee, K. Ohkubo, W. Nam and K. D. Karlin,
J. Am. Chem. Soc., 2012, 134, 7025–7035.
This journal is © The Royal Society of Chemistry 2014
Dalton Trans., 2014, 43, 841–852 | 851