Crystal structure of a heterometallic coordination polymer: poly[diaquabis(μ7-benzene-1,3,5-tricarboxylato)dicalcium(II)copper(II)]
In the title complex, [Ca2Cu(C9H3O6)2(H2O)2]n, the CaII and CuII cations are bridged by the benzene-1,3,5-tricarboxylate anions (BTC3−) to form the coordination polymer, in which each BTC3− anion bridges two CuII and five CaII cations with a μ7 coordination mode. The CuII cation, located at an inver...
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2017-06-01
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| Series: | Acta Crystallographica Section E: Crystallographic Communications |
| Subjects: | |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S205698901700665X |
| _version_ | 1819290955048550400 |
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| author | Feng Zhang Bing-Guang Zhang |
| author_facet | Feng Zhang Bing-Guang Zhang |
| author_sort | Feng Zhang |
| collection | DOAJ |
| description | In the title complex, [Ca2Cu(C9H3O6)2(H2O)2]n, the CaII and CuII cations are bridged by the benzene-1,3,5-tricarboxylate anions (BTC3−) to form the coordination polymer, in which each BTC3− anion bridges two CuII and five CaII cations with a μ7 coordination mode. The CuII cation, located at an inversion centre, is in a nearly square-planar geometry defined by four O atoms from four bridging BTC3− anions, while the CaII cation is in a distorted octahedral geometry defined by five O atoms from bridging BTC3− anions and one water molecule. O—H...O hydrogen bonds between coordinating water molecules and carboxyl groups further stabilize the structure; π–π stacking is also observed between parallel benzene rings, the centroid-to-centroid distance being 3.357 (2) Å. |
| first_indexed | 2024-12-24T03:30:57Z |
| format | Article |
| id | doaj.art-19d21a90d2b14c9ebbc11187480a9b5a |
| institution | Directory Open Access Journal |
| issn | 2056-9890 |
| language | English |
| last_indexed | 2024-12-24T03:30:57Z |
| publishDate | 2017-06-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E: Crystallographic Communications |
| spelling | doaj.art-19d21a90d2b14c9ebbc11187480a9b5a2022-12-21T17:17:11ZengInternational Union of CrystallographyActa Crystallographica Section E: Crystallographic Communications2056-98902017-06-0173683583710.1107/S205698901700665Xxu5901Crystal structure of a heterometallic coordination polymer: poly[diaquabis(μ7-benzene-1,3,5-tricarboxylato)dicalcium(II)copper(II)]Feng Zhang0Bing-Guang Zhang1Key Laboratory of Catalysis and Materials Sciences of the State Ethnic Affairs Commission & Ministry of Education, College of Chemistry and Material Science, South-Central University for Nationalities, Wuhan 430074, People's Republic of ChinaKey Laboratory of Catalysis and Materials Sciences of the State Ethnic Affairs Commission & Ministry of Education, College of Chemistry and Material Science, South-Central University for Nationalities, Wuhan 430074, People's Republic of ChinaIn the title complex, [Ca2Cu(C9H3O6)2(H2O)2]n, the CaII and CuII cations are bridged by the benzene-1,3,5-tricarboxylate anions (BTC3−) to form the coordination polymer, in which each BTC3− anion bridges two CuII and five CaII cations with a μ7 coordination mode. The CuII cation, located at an inversion centre, is in a nearly square-planar geometry defined by four O atoms from four bridging BTC3− anions, while the CaII cation is in a distorted octahedral geometry defined by five O atoms from bridging BTC3− anions and one water molecule. O—H...O hydrogen bonds between coordinating water molecules and carboxyl groups further stabilize the structure; π–π stacking is also observed between parallel benzene rings, the centroid-to-centroid distance being 3.357 (2) Å.http://scripts.iucr.org/cgi-bin/paper?S205698901700665Xcrystal structureheterometallic complexcopper carboxylatescalcium carboxylatesπ–π stacking |
| spellingShingle | Feng Zhang Bing-Guang Zhang Crystal structure of a heterometallic coordination polymer: poly[diaquabis(μ7-benzene-1,3,5-tricarboxylato)dicalcium(II)copper(II)] Acta Crystallographica Section E: Crystallographic Communications crystal structure heterometallic complex copper carboxylates calcium carboxylates π–π stacking |
| title | Crystal structure of a heterometallic coordination polymer: poly[diaquabis(μ7-benzene-1,3,5-tricarboxylato)dicalcium(II)copper(II)] |
| title_full | Crystal structure of a heterometallic coordination polymer: poly[diaquabis(μ7-benzene-1,3,5-tricarboxylato)dicalcium(II)copper(II)] |
| title_fullStr | Crystal structure of a heterometallic coordination polymer: poly[diaquabis(μ7-benzene-1,3,5-tricarboxylato)dicalcium(II)copper(II)] |
| title_full_unstemmed | Crystal structure of a heterometallic coordination polymer: poly[diaquabis(μ7-benzene-1,3,5-tricarboxylato)dicalcium(II)copper(II)] |
| title_short | Crystal structure of a heterometallic coordination polymer: poly[diaquabis(μ7-benzene-1,3,5-tricarboxylato)dicalcium(II)copper(II)] |
| title_sort | crystal structure of a heterometallic coordination polymer poly diaquabis μ7 benzene 1 3 5 tricarboxylato dicalcium ii copper ii |
| topic | crystal structure heterometallic complex copper carboxylates calcium carboxylates π–π stacking |
| url | http://scripts.iucr.org/cgi-bin/paper?S205698901700665X |
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