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1642419934
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note
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3 The data were analyzed using the EXAFSPAK programs [http://ssrl.slac.stanford.edu/exafspak.html], and EXAFS curve-fitting employed ab initio phase and amplitude functions generated with the program FEFF v8.03.
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14
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1642460979
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note
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2. The long-range interactions in the data of the oxidized sample could be modeled with two different Mo⋯C interactions at 3.36(1) Å and 3.61(1) Å, but, as discussed in the text, this assignment is not unambiguous. The values quoted in parentheses indicate the standard deviations (precisions) in the last digit(s) estimated from the diagonal elements of the covariance matrix.
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15
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0029926237
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Bond valence sum calculations were carried out as previously described [George, G. N.; Hilton, J.; Rajagopalan, K. V. J. Am. Chem. Soc. 1996, 118, 1113-1117]. Four sulfur ligands give a bond-valence sum of 7.4, but if only three are used, then a value of 6.3 is obtained. While these results are not definitive, they do suggest that the sulfur coordination might be less than four.
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George, G.N.1
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Rajagopalan, K.V.3
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16
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1642501907
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note
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Because of the low concentration of the sample (∼0.1 mM) the data required the average of twenty-eight 32 min scans.
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17
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0041318860
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Bertero, M. G.; Rothery, R. A.; Palak, M.; Hou, C.; Lim, D.; Blasco, F.; Weiner, J. H.; Strynadka, N. C. J. Nat. Struct. Biol. 2003, 10, 681-687.
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18
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1642542748
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note
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2, but, as discussed in the text, this assignment is not unambiguous.
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19
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0032542583
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George, G. N.; Colangelo, C. M.; Dong, J.; Scott, R. A.; Khangulov, S. V.; Gladyshev, V. N.; Stadtman, T. C. J. Am. Chem. Soc. 1998, 120, 1267-1273.
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1642419938
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note
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2.
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