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full synthetic and spectroscopic data for compound 2 have been submitted as supplementary material.
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16
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0038448362
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note
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2) 0.0860 (I> 2σ(I)). CCDC-204734 2, CCDC-204735 3, CCDC-204736 4 contain the supplementary crystallographic data for this paper. These data can be obtained free of charge via www.ccdc.cam. ac.uk/conts/retrieving.html (or from the Cambridge Crystallographic Data Centre, 12 Union Road, Cambridge CB21EZ, UK; fax: (+44)1223-336-033; or deposit@ccdc.cam.ac.uk).
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note
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Geometries of 5 and 6 were optimized in Gaussian 98 by using the mPW91 functional with the 6-311 + G basis set on Ga, C, N, and H atoms and LANL2DZ basis set and core potential for In. Atomic charge, orbital population, and bonding analyses were carried out by using the NBO scheme. See supplementary material for full details.
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