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b) Crystallographic data (excluding structure factors) for the structures reported in this paper have been deposited with the Cambridge Crystallographic Data Centre as supplementary publication no. CCDC-100 951. Copies of the data can be obtained free of charge on application to CCDC, 12 Union Road, Cambridge CB2 1EZ, UK (fax: (+44)1223-336-033; e-mail: deposit@ccdc.cam.ac.uk).
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Calculations of the extended Hückel type (R. Hoffmann, J. Chem. Phys. 1963, 39, 1397) were carried out with a modified version of the Wolfsberg-Helmholtz formula (J. H. Ammeter, H. B. Bürgi, J. C. Thibeault, R. Hoffmann, J. Am. Chem. Soc. 1978, 100, 3686) with the program CACAO (C. Mealli, D. M. Proserpio, J. Chem. Edu. 1990, 67, 399).
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Calculations of the extended Hückel type (R. Hoffmann, J. Chem. Phys. 1963, 39, 1397) were carried out with a modified version of the Wolfsberg-Helmholtz formula (J. H. Ammeter, H. B. Bürgi, J. C. Thibeault, R. Hoffmann, J. Am. Chem. Soc. 1978, 100, 3686) with the program CACAO (C. Mealli, D. M. Proserpio, J. Chem. Edu. 1990, 67, 399).
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Calculations of the extended Hückel type (R. Hoffmann, J. Chem. Phys. 1963, 39, 1397) were carried out with a modified version of the Wolfsberg-Helmholtz formula (J. H. Ammeter, H. B. Bürgi, J. C. Thibeault, R. Hoffmann, J. Am. Chem. Soc. 1978, 100, 3686) with the program CACAO (C. Mealli, D. M. Proserpio, J. Chem. Edu. 1990, 67, 399).
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