Di-μ2-ethanolato-octamethylbis(μ-4-methyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-ido-κ2N1:N2)di-μ3-oxido-tetratin(IV)

Ezzatollah Najafi,Seik Weng Ng,Mostafa M Amini

doi:10.1107/s1600536812047708

Ezzatollah Najafi, Seik Weng Ng + Show 1 more

Open Access

https://doi.org/10.1107/s1600536812047708

Copy DOI

Abstract

The tetranuclear title compound, [Sn4(CH3)8(C2H5O)2O2(C3H4N3S)2], lies about a center of inversion; the molecule features a three-rung-staircase Sn4O4 core in which two SnIV atoms are bridged by the 4-methyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-ide group. The negatively charged N atom of the group binds to the terminal SnIV atom at a shorter distance [Sn—N = 2.240 (3) Å] compared with the neutral N atom that binds to the central SnIV atom [Sn← N = 2.641 (3) Å]. The terminal SnIV atom is five-coordinate in a cis-C2SnNO2 trigonal–bipyramidal geometry [C—Sn—C = 127.5 (2)°], whereas the central SnIV atom is six-coordinate in a C2SnNO3 skew-trazepoidal bipyramidal geometry [C—Sn—C = 145.0 (2)°].

Highlights

The tetranuclear title compound, [Sn4(CH3)8(C2H5O)2O2(C3H4N3S)2], lies about a center of inversion; the molecule features a three-rung-staircase Sn4O4 core in which two SnIV atoms are bridged by the 4-methyl-5-sulfanylidene-4,5dihydro-1H-1,2,4-triazol-1-ide group
N atom of the group binds to the terminal SnIV atom at a shorter distance [Sn—N = 2.240 (3) Å] compared with the neutral N atom that binds to the central SnIV atom [Sn N =
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2)

Summary

Structure Reports

R factor = 0.026; wR factor = 0.065; data-to-parameter ratio = 24.1. The tetranuclear title compound, [Sn4(CH3)8(C2H5O)2O2(C3H4N3S)2], lies about a center of inversion; the molecule features a three-rung-staircase Sn4O4 core in which two SnIV atoms are bridged by the 4-methyl-5-sulfanylidene-4,5dihydro-1H-1,2,4-triazol-1-ide group. N atom of the group binds to the terminal SnIV atom at a shorter distance [Sn—N = 2.240 (3) Å] compared with the neutral N atom that binds to the central SnIV atom [Sn N =. The terminal SnIV atom is five-coordinate in a cisC2SnNO2 trigonal–bipyramidal geometry [C—Sn—C =. 127.5 (2) ], whereas the central SnIV atom is six-coordinate in a C2SnNO3 skew-trazepoidal bipyramidal geometry [C—.

Data collection

Mirror monochromator