Tetrakis(μ3-2-{[1,1-bis(hydroxymethyl)-2-oxidoethyl]iminomethyl}-6-nitrophenolato)tetracopper(II)
The title cluster, [Cu4(C11H12N2O6)4], was obtained from the Cu0–FeCl2·4H2O–H4L–Et3N–DMF reaction system (in air), where H4L is 2-hydroxymethyl-2{[(2-hydroxy-3-nitrophenyl)methylidene]amino}propane-1,3-diol and DMF is dimethylformamide. The asymmetric unit consists of one Cu2+ ion and one dianionic...
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International Union of Crystallography
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doaj-3aea9bacc945475b98dffad93650e7fe2020-11-25T01:38:21ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682014-02-01702m54m5510.1107/S1600536814000798hb7174Tetrakis(μ3-2-{[1,1-bis(hydroxymethyl)-2-oxidoethyl]iminomethyl}-6-nitrophenolato)tetracopper(II)Eduard N. Chygorin0Yuri O. Smal1Vladimir N. Kokozay2Irina V. Omelchenko3Department of Inorganic Chemistry, Taras Shevchenko National University of Kyiv, 64\13 Volodymyrska St, Kyiv 01601, UkraineDepartment of Inorganic Chemistry, Taras Shevchenko National University of Kyiv, 64\13 Volodymyrska St, Kyiv 01601, UkraineDepartment of Inorganic Chemistry, Taras Shevchenko National University of Kyiv, 64\13 Volodymyrska St, Kyiv 01601, UkraineSTC `Institute for Single Crystals', National Academy of Sciences of Ukraine, 60 Lenina Avenue, Kharkiv 61001, UkraineThe title cluster, [Cu4(C11H12N2O6)4], was obtained from the Cu0–FeCl2·4H2O–H4L–Et3N–DMF reaction system (in air), where H4L is 2-hydroxymethyl-2{[(2-hydroxy-3-nitrophenyl)methylidene]amino}propane-1,3-diol and DMF is dimethylformamide. The asymmetric unit consists of one Cu2+ ion and one dianionic ligand; a -4 symmetry element generates the cluster, which contains a {Cu4O4} cubane-like core. The metal ion has an elongated square-based pyramidal CuNO4 coordination geometry with the N atom in a basal site. An intramolecular O—H...O hydrogen bond is observed. The solvent molecules were found to be highly disordered and their contribution to the scattering was removed with the SQUEEZE procedure in PLATON [Spek (2009). Acta Cryst. D65, 148–155], which indicated a solvent cavity of volume 3131 Å3 containing approximately 749 electrons. These solvent molecules are not considered in the given chemical formula.http://scripts.iucr.org/cgi-bin/paper?S1600536814000798 |
collection |
DOAJ |
language |
English |
format |
Article |
sources |
DOAJ |
author |
Eduard N. Chygorin Yuri O. Smal Vladimir N. Kokozay Irina V. Omelchenko |
spellingShingle |
Eduard N. Chygorin Yuri O. Smal Vladimir N. Kokozay Irina V. Omelchenko Tetrakis(μ3-2-{[1,1-bis(hydroxymethyl)-2-oxidoethyl]iminomethyl}-6-nitrophenolato)tetracopper(II) Acta Crystallographica Section E |
author_facet |
Eduard N. Chygorin Yuri O. Smal Vladimir N. Kokozay Irina V. Omelchenko |
author_sort |
Eduard N. Chygorin |
title |
Tetrakis(μ3-2-{[1,1-bis(hydroxymethyl)-2-oxidoethyl]iminomethyl}-6-nitrophenolato)tetracopper(II) |
title_short |
Tetrakis(μ3-2-{[1,1-bis(hydroxymethyl)-2-oxidoethyl]iminomethyl}-6-nitrophenolato)tetracopper(II) |
title_full |
Tetrakis(μ3-2-{[1,1-bis(hydroxymethyl)-2-oxidoethyl]iminomethyl}-6-nitrophenolato)tetracopper(II) |
title_fullStr |
Tetrakis(μ3-2-{[1,1-bis(hydroxymethyl)-2-oxidoethyl]iminomethyl}-6-nitrophenolato)tetracopper(II) |
title_full_unstemmed |
Tetrakis(μ3-2-{[1,1-bis(hydroxymethyl)-2-oxidoethyl]iminomethyl}-6-nitrophenolato)tetracopper(II) |
title_sort |
tetrakis(μ3-2-{[1,1-bis(hydroxymethyl)-2-oxidoethyl]iminomethyl}-6-nitrophenolato)tetracopper(ii) |
publisher |
International Union of Crystallography |
series |
Acta Crystallographica Section E |
issn |
1600-5368 |
publishDate |
2014-02-01 |
description |
The title cluster, [Cu4(C11H12N2O6)4], was obtained from the Cu0–FeCl2·4H2O–H4L–Et3N–DMF reaction system (in air), where H4L is 2-hydroxymethyl-2{[(2-hydroxy-3-nitrophenyl)methylidene]amino}propane-1,3-diol and DMF is dimethylformamide. The asymmetric unit consists of one Cu2+ ion and one dianionic ligand; a -4 symmetry element generates the cluster, which contains a {Cu4O4} cubane-like core. The metal ion has an elongated square-based pyramidal CuNO4 coordination geometry with the N atom in a basal site. An intramolecular O—H...O hydrogen bond is observed. The solvent molecules were found to be highly disordered and their contribution to the scattering was removed with the SQUEEZE procedure in PLATON [Spek (2009). Acta Cryst. D65, 148–155], which indicated a solvent cavity of volume 3131 Å3 containing approximately 749 electrons. These solvent molecules are not considered in the given chemical formula. |
url |
http://scripts.iucr.org/cgi-bin/paper?S1600536814000798 |
work_keys_str_mv |
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