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Crystal structure of tetra­kis­(μ(3)-2-{[1,1-bis­(hy­droxy­meth­yl)-2-oxidoeth­yl]imino­meth­yl}-6-meth­oxy­phenolato)tetra­kis­[aqua­copper(II)]: a redetermination at 200 K

The crystal structure of the tetra­nuclear title compound, [Cu(4)(C(12)H(15)NO(5))(4)(H(2)O)(4)], has been previously reported by Back, Oliveira, Canabarro & Iglesias [Z. Anorg. Allg. Chem. (2015), 641, 941–947], based on room-temperature data. In the previously published structure, no standard...

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Detalles Bibliográficos
Autores principales: Buvaylo, Elena A., Vassilyeva, Olga Yu., Skelton, Brian W.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4647398/
https://www.ncbi.nlm.nih.gov/pubmed/26594407
http://dx.doi.org/10.1107/S2056989015017314
Descripción
Sumario:The crystal structure of the tetra­nuclear title compound, [Cu(4)(C(12)H(15)NO(5))(4)(H(2)O)(4)], has been previously reported by Back, Oliveira, Canabarro & Iglesias [Z. Anorg. Allg. Chem. (2015), 641, 941–947], based on room-temperature data. In the previously published structure, no standard uncertainties are recorded for the deprotonated hy­droxy­methyl group and water mol­ecule O atoms coordinating to the metal atom indicating that they were not refined; furthermore, the H atoms of some OH groups and water mol­ecules have not been positioned accurately. Since the current structure was determined at a lower temperature, all atoms, including the H atoms of these hy­droxy groups and the water mol­ecule, have been determined more accurately resulting in improved standard uncertainties in the bond lengths and angles. Diffraction data were collected at 200 K, rather than the more usual 100 K, due to apparent disordering at lower temperatures. In addition, it is now possible to report intra- and inter­molecular O—H⋯O inter­actions. In the title complex molecule, which has crystallographic -4 symmetry, the Cu(II) ions are coordinated by the tridentate Schiff base ligands and water mol­ecules, forming a tetra­nuclear Cu(4)O(4) cubane-like core. The Cu(II) ion adopts a CuNO(5) elongated octa­hedral environment. The coordination environment of Cu(II) at 200 K displays a small contraction of the Cu—N/O bonds, compared with the room-temperature structure. In the crystal lattice, the neutral clusters are linked by inter­molecular O—H⋯O hydrogen bonds into a one-dimensional hydrogen-bonding network propagating along the b axis.