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• W2040621737 abstract "The spectroscopic and structural properties of [(bmmp-TASN)FeNO]BPh(4) (1) (bmmp-TASN = 4,7-bis(2'-methyl-2'-mercaptopropyl)-1-thia-4,7-diazacyclononane) have been determined and are compared with the nitric oxide inactivated form of iron-containing nitrile hydratase, NHase(dark). [(bmmp-TASN)FeNO]BPh(4) is prepared from the addition of NO to (bmmp-TASN)FeCl followed by addition of sodium tetraphenylborate. [(bmmp-TASN)FeNO]BPh(4) crystallizes from acetonitrile-methanol solutions upon ether vapor diffusion as dark blue plates in the monoclinic space group P2(1)/c with a = 11.9521(14) A, b = 11.3238(13) A, c = 26.624(3) A, beta = 98.280(2), and Z = 4. The nu(NO) stretching frequency of 1856 cm(-)(1) and the Mössbauer parameters, delta = 0.06 mm/s and DeltaE(q) = 1.75 mm/s, compare favorably with those of NHase(dark). The similarities of the iron-sulfur bond distances to the thiolate, 2.284(2) A and 2.291(2) A, versus thioether, 2.285(2) A, are attributed to the low-spin configuration of the iron. The relationship between this structural observation and the spectroscopic properties of the complex are discussed." @default.
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• W2040621737 date "2002-02-09" @default.
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• W2040621737 title "First {Fe−NO}⁶ Complex with an N₂S₃Fe−NO Core as a Model of NO-Inactivated Iron-Containing Nitrile Hydratase. Are Thiolates and Thioethers Equivalent Donors in Low-Spin Iron Complexes?" @default.
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• W2040621737 doi "https://doi.org/10.1021/ic015629x" @default.
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