Abstract
The tetranuclear title compound, [Sn4(CH3)8(C3H7O)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 = 2.236 (2) Å] compared with the neutral N atom that binds to the central SnIV atom [Sn← N = 2.805 (2) Å]. The terminal SnIV atom is five-coordinate in a cis-C2SnNO2 trigonal–bipyramidal geometry [C—Sn—C = 136.4 (1)°], whereas the central SnIV atom is six-coordinate in a C2SnNO3 skew-trazepoidal bipyramidal geometry [C—Sn—C = 145.4 (1)°]. The C atoms of the isopropoxy group are disordered over two positions in a 0.591 (7):0.409 (7) ratio.
Highlights
The tetranuclear title compound, [Sn4(CH3)8(C3H7O)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
The negatively charged N atom of the group binds to the terminal SnIV atom at a shorter distance [Sn—N = 2.236 (2) A ] compared with the neutral N atom that binds to the central SnIV atom [Sn N = 2.805 (2) A ]
Tetranuclear Sn4O2(CH3)8(C3H7O)2(C3H4N3S)2 lies about a center-of-inversion; the molecule features a three-rungstaircase Sn4O4 core in which two Sn atoms are bridged by the C3H4N3S triazolate group
Summary
The tetranuclear title compound, [Sn4(CH3)8(C3H7O)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. Key indicators: single-crystal X-ray study; T = 100 K; mean (N–C) = 0.004 A; disorder in main residue; R factor = 0.023; wR factor = 0.052; data-to-parameter ratio = 23.5. The negatively charged N atom of the group binds to the terminal SnIV atom at a shorter distance [Sn—N = 2.236 (2) A ] compared with the neutral N atom that binds to the central SnIV atom [Sn N = 2.805 (2) A ].
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