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13C), mass spectra, and elemental analysis results for 3, 4, 5, and 6, along with ORTEP views of the cations of complexes 5 and 6, details of the X-ray crystal structure determinations, and theoretical calculations. CCDC-262841 (3), -262842 (4), -262843 (5), and -262844 (6) 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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22744449832
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note
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2 position are enantiomers. Hence, the equal occupancy of the two sites by a Pd or a Pt atom does not affect the coordinates of the P and N centers.
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37
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22744447551
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note
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This difference in energy is at the limit of accuracy of the method used. Moreover, structures E and F have similar HOMOLUMO gaps (E: 1.553 eV; F: 1.556 eV).
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39
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2442544689
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1 interactions see: M. A. Carvajal, S. Alvarez, J. J. Novoa, Chem. Eur. J. 2004, 10, 2117;
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