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The crystal data for 2 and 4b were collected on a Bruker x8APEX diffractometer and the structures were solved using direct methods, refined with the Shelx software package (G. Sheldrick, University of Göttingen 1997). CCDC-676477 (2) and CCDC-676478 (4b) contain the supplementary crystallographic data for this paper. These data can be obtained free of charge from The Cambridge Crystallographic Data Centre via www.ccdc.cam.ac.uk/data_request/cif.
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Electronic structure calculations reported in this work were performed with Gaussian 03 (Revision B.04), Gaussian, Inc., Pittsburgh, PA, 2003. The electron localization function (ELF) and its properties were computed with the TopMoD package of S. Noury, X. Krokidis, F. Fuster, B. Silvi, 1997. The charges and the Wiberg bond indices were calculated with the NBO 5 program of E. D. Glendening, J. K. Badenhoop,A. E. Reed, J. E. Carpenter, J. A. Bohmann, C. M. Morales, 2001.
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Electronic structure calculations reported in this work were performed with Gaussian 03 (Revision B.04), Gaussian, Inc., Pittsburgh, PA, 2003. The electron localization function (ELF) and its properties were computed with the TopMoD package of S. Noury, X. Krokidis, F. Fuster, B. Silvi, 1997. The charges and the Wiberg bond indices were calculated with the NBO 5 program of E. D. Glendening, J. K. Badenhoop,A. E. Reed, J. E. Carpenter, J. A. Bohmann, C. M. Morales, 2001.
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