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Crystal structure of μ(3)-tetrathioantimonato-tris[(cyclam)zinc(II)] tetrathioantimonate acetonitrile disolvate dihydrate showing Zn disorder over the cyclam ring planes (cyclam = 1,4,8,11-tetraazacyclotetradecane)
Reaction of Zn(ClO(4))(2)·6H(2)O with cyclam (cyclam = 1,4,8,11-tetraazacyclotetradecane, C(10)H(24)N(4)) and Na(3)SbS(4) in an acetonitrile/water mixture led to the formation of crystals of the title compound, [Zn(3)(SbS(4))(C(10)H(24)N(4))(3)](SbS(4))·2CH(3)CN·2H(2)O or [(Zn-cyclam)(3)(SbS(4)...
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Formato: | Online Artículo Texto |
Lenguaje: | English |
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International Union of Crystallography
2022
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9069514/ https://www.ncbi.nlm.nih.gov/pubmed/35547801 http://dx.doi.org/10.1107/S2056989022003759 |
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author | Näther, Christian Danker, Felix Bensch, Wolfgang |
author_facet | Näther, Christian Danker, Felix Bensch, Wolfgang |
author_sort | Näther, Christian |
collection | PubMed |
description | Reaction of Zn(ClO(4))(2)·6H(2)O with cyclam (cyclam = 1,4,8,11-tetraazacyclotetradecane, C(10)H(24)N(4)) and Na(3)SbS(4) in an acetonitrile/water mixture led to the formation of crystals of the title compound, [Zn(3)(SbS(4))(C(10)H(24)N(4))(3)](SbS(4))·2CH(3)CN·2H(2)O or [(Zn-cyclam)(3)(SbS(4))(2)](H(2)O)(2)(acetonitrile)(2). The set-up of the crystal structure is similar to that of [(Zn-cyclam)(3)(SbS(4))(2)](.)8H(2)O reported recently [Danker et al. (2021 ▸). Dalton Trans. 50, 18107–18117]. The crystal structure of the title compound consists of three crystallographically independent Zn(II) cations (each disordered around centers of inversion), three centrosymmetric cyclam ligands, one SbS(4) (3–) anion, one water and one acetonitrile molecule occupying general positions. The acetonitrile molecule is equally disordered over two sets of sites. Each Zn(2+) cation is bound to four nitrogen atoms of a cyclam ligand and one sulfur atom of the SbS(4) (3–) anion within a distorted square-pyramidal coordination. The cation disorder of the [Zn(cyclam)](2+) complexes is discussed in detail and is also observed in other compounds, where identical ligands are located above and below the [Zn(cyclam)](2+) plane. In the title compound, the building units are arranged in layers parallel to the bc plane forming pores in which the acetonitrile solvate molecules are located. Intermolecular C—H⋯S hydrogen bonding links these units to the SbS(4) (3–) anions. Between the layers, additional water solvate molecules are present that act as acceptor and donor groups for intermolecular N—H⋯O and O—H⋯S hydrogen bonding. |
format | Online Article Text |
id | pubmed-9069514 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2022 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-90695142022-05-10 Crystal structure of μ(3)-tetrathioantimonato-tris[(cyclam)zinc(II)] tetrathioantimonate acetonitrile disolvate dihydrate showing Zn disorder over the cyclam ring planes (cyclam = 1,4,8,11-tetraazacyclotetradecane) Näther, Christian Danker, Felix Bensch, Wolfgang Acta Crystallogr E Crystallogr Commun Research Communications Reaction of Zn(ClO(4))(2)·6H(2)O with cyclam (cyclam = 1,4,8,11-tetraazacyclotetradecane, C(10)H(24)N(4)) and Na(3)SbS(4) in an acetonitrile/water mixture led to the formation of crystals of the title compound, [Zn(3)(SbS(4))(C(10)H(24)N(4))(3)](SbS(4))·2CH(3)CN·2H(2)O or [(Zn-cyclam)(3)(SbS(4))(2)](H(2)O)(2)(acetonitrile)(2). The set-up of the crystal structure is similar to that of [(Zn-cyclam)(3)(SbS(4))(2)](.)8H(2)O reported recently [Danker et al. (2021 ▸). Dalton Trans. 50, 18107–18117]. The crystal structure of the title compound consists of three crystallographically independent Zn(II) cations (each disordered around centers of inversion), three centrosymmetric cyclam ligands, one SbS(4) (3–) anion, one water and one acetonitrile molecule occupying general positions. The acetonitrile molecule is equally disordered over two sets of sites. Each Zn(2+) cation is bound to four nitrogen atoms of a cyclam ligand and one sulfur atom of the SbS(4) (3–) anion within a distorted square-pyramidal coordination. The cation disorder of the [Zn(cyclam)](2+) complexes is discussed in detail and is also observed in other compounds, where identical ligands are located above and below the [Zn(cyclam)](2+) plane. In the title compound, the building units are arranged in layers parallel to the bc plane forming pores in which the acetonitrile solvate molecules are located. Intermolecular C—H⋯S hydrogen bonding links these units to the SbS(4) (3–) anions. Between the layers, additional water solvate molecules are present that act as acceptor and donor groups for intermolecular N—H⋯O and O—H⋯S hydrogen bonding. International Union of Crystallography 2022-04-12 /pmc/articles/PMC9069514/ /pubmed/35547801 http://dx.doi.org/10.1107/S2056989022003759 Text en © Näther et al. 2022 https://creativecommons.org/licenses/by/4.0/This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited. |
spellingShingle | Research Communications Näther, Christian Danker, Felix Bensch, Wolfgang Crystal structure of μ(3)-tetrathioantimonato-tris[(cyclam)zinc(II)] tetrathioantimonate acetonitrile disolvate dihydrate showing Zn disorder over the cyclam ring planes (cyclam = 1,4,8,11-tetraazacyclotetradecane) |
title | Crystal structure of μ(3)-tetrathioantimonato-tris[(cyclam)zinc(II)] tetrathioantimonate acetonitrile disolvate dihydrate showing Zn disorder over the cyclam ring planes (cyclam = 1,4,8,11-tetraazacyclotetradecane) |
title_full | Crystal structure of μ(3)-tetrathioantimonato-tris[(cyclam)zinc(II)] tetrathioantimonate acetonitrile disolvate dihydrate showing Zn disorder over the cyclam ring planes (cyclam = 1,4,8,11-tetraazacyclotetradecane) |
title_fullStr | Crystal structure of μ(3)-tetrathioantimonato-tris[(cyclam)zinc(II)] tetrathioantimonate acetonitrile disolvate dihydrate showing Zn disorder over the cyclam ring planes (cyclam = 1,4,8,11-tetraazacyclotetradecane) |
title_full_unstemmed | Crystal structure of μ(3)-tetrathioantimonato-tris[(cyclam)zinc(II)] tetrathioantimonate acetonitrile disolvate dihydrate showing Zn disorder over the cyclam ring planes (cyclam = 1,4,8,11-tetraazacyclotetradecane) |
title_short | Crystal structure of μ(3)-tetrathioantimonato-tris[(cyclam)zinc(II)] tetrathioantimonate acetonitrile disolvate dihydrate showing Zn disorder over the cyclam ring planes (cyclam = 1,4,8,11-tetraazacyclotetradecane) |
title_sort | crystal structure of μ(3)-tetrathioantimonato-tris[(cyclam)zinc(ii)] tetrathioantimonate acetonitrile disolvate dihydrate showing zn disorder over the cyclam ring planes (cyclam = 1,4,8,11-tetraazacyclotetradecane) |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9069514/ https://www.ncbi.nlm.nih.gov/pubmed/35547801 http://dx.doi.org/10.1107/S2056989022003759 |
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