Crystal structure of tetra­kis­(μ3-2-{[1,1-bis­(hy­droxy­meth­yl)-2-oxidoeth­yl]imino­meth­yl}-6-meth­oxy­phenolato)tetra­kis­[aqua­copper(II)]: a redetermination at 200 K

Acta Crystallographica Section E: Crystallographic Communications

Skelton, B.W.¹  Buvaylo, E.A.²  Vassilyeva, O.Y.² 

[1] Centre for Microscopy, Characterisation and Analysis, M313, University of Western Australia, Perth, WA 6009, Australia;Department of Inorganic Chemistry, Taras Shevchenko National University of Kyiv, 64/13 Volodymyrska Street, Kyiv 01601, Ukraine

关键词: CRYSTAL STRUCTURE;    CUII CUBANE-TYPE COMPLEX;    SCHIFF BASE LIGAND;    O-VANILLIN;    TRIS(HYDROXYMETHYL)AMINOMETHANE;    HYDROGEN BONDING;   

DOI  :  10.1107/S2056989015017314

学科分类：数学（综合）

来源: International Union of Crystallography

【 摘 要 】

The crystal structure of the tetra­nuclear title compound, [Cu4(C12H15NO5)4(H2O)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 CuII ions are coordinated by the tridentate Schiff base ligands and water mol­ecules, forming a tetra­nuclear Cu4O4 cubane-like core. The CuII ion adopts a CuNO5 elongated octa­hedral environment. The coordination environment of CuII 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.

【 授权许可】

CC BY