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2 = 0.3100 (for all reflections). CCDC 282594 contains 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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31
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DFT-derived ground state dipole moments are 27.0 and 50.6 D for TMC-1 and TMC-2, respectively (S. Keinan, M. A. Ratner, T. J. Marks).
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