Crystal structure of tetrakis(μ3-2-{[1,1-bis(hydroxymethyl)-2-oxidoethyl]iminomethyl}phenolato)tetracopper(II) ethanol monosolvate 2.5-hydrate
The title compound, [Cu4(C11H13NO4)4]·CH3CH2OH·2.5H2O, is an electronically neutral tetranuclear copper(II) complex with a cubane-like Cu4O4 core. The complete molecule has point group symmetry 2. The phenol hydroxy group and one of the three alcohol hydroxy groups of each 2-{[tris(hydroxymethyl)met...
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2015-05-01
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| Series: | Acta Crystallographica Section E: Crystallographic Communications |
| Subjects: | |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S2056989015007513 |
| _version_ | 1818870313996255232 |
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| author | Weilun Wang Jingwen Ran |
| author_facet | Weilun Wang Jingwen Ran |
| author_sort | Weilun Wang |
| collection | DOAJ |
| description | The title compound, [Cu4(C11H13NO4)4]·CH3CH2OH·2.5H2O, is an electronically neutral tetranuclear copper(II) complex with a cubane-like Cu4O4 core. The complete molecule has point group symmetry 2. The phenol hydroxy group and one of the three alcohol hydroxy groups of each 2-{[tris(hydroxymethyl)methyl]iminomethyl}phenol ligand are deprotonated, while the secondary amine and the other two hydroxy groups remain unchanged. The CuII atoms in the Cu4O4 core are connected by four μ3-O atoms from the deprotonated alcohol hydroxy groups. Each of the pentacoordinated CuII ions has an NO4 distorted square-pyramidal environment through coordination to the tridentate Schiff base ligands. The Cu—N/O bond lengths span the range 1.902 (4)–1.955 (4) Å, similar to values reported for related structures. There are O—H...O hydrogen-bond interactions between the complex molecules and the ethanol and water solvent molecules, leading to the formation of a three-dimensional network. The ethanol solvent molecule is disordered about a twofold rotation axis. One of the two independent water molecules is also located on this twofold rotation axis and shows half-occupancy. |
| first_indexed | 2024-12-19T12:05:03Z |
| format | Article |
| id | doaj.art-45bb7f4247214a489e0e9502044f07e7 |
| institution | Directory Open Access Journal |
| issn | 2056-9890 |
| language | English |
| last_indexed | 2024-12-19T12:05:03Z |
| publishDate | 2015-05-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E: Crystallographic Communications |
| spelling | doaj.art-45bb7f4247214a489e0e9502044f07e72022-12-21T20:22:22ZengInternational Union of CrystallographyActa Crystallographica Section E: Crystallographic Communications2056-98902015-05-01715m116m11710.1107/S2056989015007513bg2551Crystal structure of tetrakis(μ3-2-{[1,1-bis(hydroxymethyl)-2-oxidoethyl]iminomethyl}phenolato)tetracopper(II) ethanol monosolvate 2.5-hydrateWeilun Wang0Jingwen Ran1College of Chemical Engineering, Huanggang Normal University and Hubei Key Laboratory for Processing and Application of Catalytic Materials, Huanggang 438000, People's Republic of ChinaCollege of Chemical Engineering, Huanggang Normal University and Hubei Key Laboratory for Processing and Application of Catalytic Materials, Huanggang 438000, People's Republic of ChinaThe title compound, [Cu4(C11H13NO4)4]·CH3CH2OH·2.5H2O, is an electronically neutral tetranuclear copper(II) complex with a cubane-like Cu4O4 core. The complete molecule has point group symmetry 2. The phenol hydroxy group and one of the three alcohol hydroxy groups of each 2-{[tris(hydroxymethyl)methyl]iminomethyl}phenol ligand are deprotonated, while the secondary amine and the other two hydroxy groups remain unchanged. The CuII atoms in the Cu4O4 core are connected by four μ3-O atoms from the deprotonated alcohol hydroxy groups. Each of the pentacoordinated CuII ions has an NO4 distorted square-pyramidal environment through coordination to the tridentate Schiff base ligands. The Cu—N/O bond lengths span the range 1.902 (4)–1.955 (4) Å, similar to values reported for related structures. There are O—H...O hydrogen-bond interactions between the complex molecules and the ethanol and water solvent molecules, leading to the formation of a three-dimensional network. The ethanol solvent molecule is disordered about a twofold rotation axis. One of the two independent water molecules is also located on this twofold rotation axis and shows half-occupancy.http://scripts.iucr.org/cgi-bin/paper?S2056989015007513crystal structureSchiff base ligandmonoclinic tetranuclear copper(II) complex |
| spellingShingle | Weilun Wang Jingwen Ran Crystal structure of tetrakis(μ3-2-{[1,1-bis(hydroxymethyl)-2-oxidoethyl]iminomethyl}phenolato)tetracopper(II) ethanol monosolvate 2.5-hydrate Acta Crystallographica Section E: Crystallographic Communications crystal structure Schiff base ligand monoclinic tetranuclear copper(II) complex |
| title | Crystal structure of tetrakis(μ3-2-{[1,1-bis(hydroxymethyl)-2-oxidoethyl]iminomethyl}phenolato)tetracopper(II) ethanol monosolvate 2.5-hydrate |
| title_full | Crystal structure of tetrakis(μ3-2-{[1,1-bis(hydroxymethyl)-2-oxidoethyl]iminomethyl}phenolato)tetracopper(II) ethanol monosolvate 2.5-hydrate |
| title_fullStr | Crystal structure of tetrakis(μ3-2-{[1,1-bis(hydroxymethyl)-2-oxidoethyl]iminomethyl}phenolato)tetracopper(II) ethanol monosolvate 2.5-hydrate |
| title_full_unstemmed | Crystal structure of tetrakis(μ3-2-{[1,1-bis(hydroxymethyl)-2-oxidoethyl]iminomethyl}phenolato)tetracopper(II) ethanol monosolvate 2.5-hydrate |
| title_short | Crystal structure of tetrakis(μ3-2-{[1,1-bis(hydroxymethyl)-2-oxidoethyl]iminomethyl}phenolato)tetracopper(II) ethanol monosolvate 2.5-hydrate |
| title_sort | crystal structure of tetrakis μ3 2 1 1 bis hydroxymethyl 2 oxidoethyl iminomethyl phenolato tetracopper ii ethanol monosolvate 2 5 hydrate |
| topic | crystal structure Schiff base ligand monoclinic tetranuclear copper(II) complex |
| url | http://scripts.iucr.org/cgi-bin/paper?S2056989015007513 |
| work_keys_str_mv | AT weilunwang crystalstructureoftetrakism3211bishydroxymethyl2oxidoethyliminomethylphenolatotetracopperiiethanolmonosolvate25hydrate AT jingwenran crystalstructureoftetrakism3211bishydroxymethyl2oxidoethyliminomethylphenolatotetracopperiiethanolmonosolvate25hydrate |