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0041891365
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16
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27844432398
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note
-
1/c, a = 6.662 Å, b = 14.227 Å, c = 16.216 Å, β = 92.97°. The structure described in this paper was determined at low temperature (160 K) and the refinements were conducted with a Draconian criterion for observed reflections [I > 0 σ(I)] made possible by the high quality of the crystal.
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17
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0001129376
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18
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37049078543
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Kini, A.1
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Williams, J.M.4
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19
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0842341771
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PM3 is a reparameterization of the AMI method; see for example: M. J. S. Dewar, E. G. Zoebisch, E. F. Healy and J. S. Steward, J. Am. Chem. Soc., 1985, 107, 3902.
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Steward, J.S.4
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20
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27844549601
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note
-
Atomic coordinates taken from this work for BETS, from ref. 12 for ET and ref. 13 for BEST.
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21
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0027555548
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R. Kato, S. Aonuma, Y. Okano, H. Sawa, A. Kobayashi and H. Kobayashi, Synth. Metals, 1993, 56, 2084.
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22
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0040504717
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H. H. Wang, L. K. Montgomery, U. Geiser, L. C. Porter, K. D. Carlson, J. R. Ferraro, J. M. Williams, C. S. Cariss, R. L. Rubinstein and J. R. Whitworth, Chem. Mater., 1989, 1, 140.
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23
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84914877629
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Kato, R.1
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24
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27844612709
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-
note
-
For ET and BEST, the C ratio is calculated from the corresponding atomic coordinates taken from ref. 12 and 13, respectively.
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