Skip to main page content
U.S. flag

An official website of the United States government

Dot gov

The .gov means it’s official.
Federal government websites often end in .gov or .mil. Before sharing sensitive information, make sure you’re on a federal government site.

Https

The site is secure.
The https:// ensures that you are connecting to the official website and that any information you provide is encrypted and transmitted securely.

Access keys NCBI Homepage MyNCBI Homepage Main Content Main Navigation
. 2024 May 31;80(Pt 6):691-694.
doi: 10.1107/S2056989024004833. eCollection 2024 May 1.

Synthesis and crystal structure of the cluster (Et4N)[(Tp*)MoFe3S3(μ3-NSiMe3)(N3)3]

Yue Li  1 , Jia Wei  1 , Jie Han  2 , Xu-Dong Chen  1
Affiliations

Synthesis and crystal structure of the cluster (Et4N)[(Tp*)MoFe3S3(μ3-NSiMe3)(N3)3]

Yue Li et al. Acta Crystallogr E Crystallogr Commun. .

Abstract

The title compound, tetra-ethyl-ammonium tri-azido-tri-μ3-sulfido-[μ3-(tri-methyl-sil-yl)aza-nediido][tris-(3,5-di-methyl-pyrazol-1-yl)hydro-borato]triiron(+2.33)molybdenum(IV), (C8H20N)[Fe3MoS3(C15H22BN6)(C3H9NSi)(N3)3] or (Et4N)[(Tp*)MoFe3S3(μ3-NSiMe3)(N3)3] [Tp* = tris-(3,5-di-methyl-pyrazol-1-yl)hydro-bor-ate(1-)], crystallizes as needle-like black crystals in space group P . In this cluster, the Mo site is in a distorted octa-hedral coordination model, coordinating three N atoms on the Tp* ligand and three μ3-bridging S atoms in the core. The Fe sites are in a distorted tetra-hedral coordination model, coordinating two μ3-bridging S atoms, one μ3-bridging N atom from Me3SiN2-, and another N atom on the terminal azide ligand. This type of heterometallic and heteroleptic single cubane cluster represents a typical example within the Mo-Fe-S cluster family, which may be a good reference for understanding the structure and function of the nitro-genase FeMo cofactor. The residual electron density of disordered solvent mol-ecules in the void space could not be reasonably modeled, thus the SQUEEZE [Spek (2015). Acta Cryst. C71, 9-18] function was applied. The solvent contribution is not included in the reported mol-ecular weight and density.

Keywords: FeMo cofactor; Mo–Fe–S cluster; crystal structure; synthesis.

PubMed Disclaimer

Figures

Figure 1
Figure 1
Structure of the anionic cluster in the title compound with the atom-numbering scheme. Displacement ellipsoids are drawn at the 50% probability level. Hydrogen atoms are omitted for clarity.
Figure 2
Figure 2
Crystal packing of the title compound. Hydrogen atoms are omitted for clarity.
Figure 3
Figure 3
Synthesis of (Et4N)[(Tp*)MoFe3(μ3-S)3(μ3-NSiMe3)(N3)3].
See this image and copyright information in PMC

Similar articles

See all similar articles

References

    1. Bruker. (2016). APEX2 and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.
    1. Canfield, D. E., Glazer, A. N. & Falkowski, P. G. (2010). Science, 330, 192–196. - PubMed
    1. Chen, X.-D., Duncan, J. S., Verma, A. K. & Lee, S. C. (2010). J. Am. Chem. Soc. 132, 15884–15886. - PubMed
    1. Cheng, Q. (2008). J. Integr. Plant Biol. 50, 786–798. - PubMed
    1. Dolomanov, O. V., Bourhis, L. J., Gildea, R. J., Howard, J. A. K. & Puschmann, H. (2009). J. Appl. Cryst. 42, 339–341.

LinkOut - more resources