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Tris[N,N-bis-(3,5-di-tert-butyl-benz-yl)di-thio-carbamato-κ2 S,S']-μ3-sulfido-tris-μ2-disulfido-triangulo-trimolybdenum(IV) iodide.

ABSTRACT: The title compound, [Mo3(C31H46NS2)3S7]I, crystallizes on a threefold rotational axis in P31c (space group No. 159). The [Mo3S7(S2CN(CH2C6H3-3,5- t Bu2)2)3]+ cations are arrayed in sheets in the ab plane with inter-ligand hydro-phobic inter-actions between tert-butyl groups guiding the packing arrangement. These cations form stacks parallel to the c axis with a separating distance of 10.9815 (6) Å (the c axis length) between the Mo3 centroids. On the underside of the cluster, opposite the μ3-S2- ligand, the iodide counteranion forms close contacts of 3.166 (2) Å with the sulfur atoms of the μ2-S2 2- ligands. These contacts are less than the sum of the van der Waals radii of the atoms (1.8 and 2.1 Å for S and I, respectively), thus indicating an appreciable degree of covalency to the [Mo3S7(S2CN(CH2C6H3-3,5- t Bu2)2)3]+⋯I- inter-actions.

SUBMITTER: Chen Y 

PROVIDER: S-EPMC9462243 | biostudies-literature | 2020 Jul

REPOSITORIES: biostudies-literature

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Tris[<i>N</i>,<i>N</i>-bis-(3,5-di-<i>tert</i>-butyl-benz-yl)di-thio-carbamato-κ<sup>2</sup> <i>S</i>,<i>S</i>']-μ<sub>3</sub>-sulfido-tris-μ<sub>2</sub>-disulfido-<i>triangulo</i>-trimolybdenum(IV) iodide.

Chen Yueli Y   Wang Bo B   Fontenot Patricia P   Donahue James P JP  

IUCrData 20200717 Pt 7

The title compound, [Mo<sub>3</sub>(C<sub>31</sub>H<sub>46</sub>NS<sub>2</sub>)<sub>3</sub>S<sub>7</sub>]I, crystallizes on a threefold rotational axis in <i>P</i>31<i>c</i> (space group No. 159). The [Mo<sub>3</sub>S<sub>7</sub>(S<sub>2</sub>CN(CH<sub>2</sub>C<sub>6</sub>H<sub>3</sub>-3,5- <sup><i>t</i></sup> Bu<sub>2</sub>)<sub>2</sub>)<sub>3</sub>]<sup>+</sup> cations are arrayed in sheets in the <i>ab</i> plane with inter-ligand hydro-phobic inter-actions between <i>tert</i>-butyl groups gui  ...[more]

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