catena-Poly[barium(II)-μ2-(dimethyl sulfoxide)-κ2O:O-bis(μ2-2,4,6-trinitrophenolato-κ4O2,O1:O1,O6)]
The asymmetric unit of the title barium coordination polymer, [Ba(C6H2N3O7)2(C2H6OS)]n, consists of a barium cation (site symmetry m) and a dimethyl sulfoxide (DMSO) ligand (point group symmetry m) and a 2,4,6-trinitrophenolate anion located in general positions. The S atom and the methyl group of D...
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2020-11-01
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| Series: | IUCrData |
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| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S2414314620014984 |
| _version_ | 1818339233159446528 |
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| author | Bikshandarkoil R. Srinivasan Neha U. Parsekar Kedar U. Narvekar |
| author_facet | Bikshandarkoil R. Srinivasan Neha U. Parsekar Kedar U. Narvekar |
| author_sort | Bikshandarkoil R. Srinivasan |
| collection | DOAJ |
| description | The asymmetric unit of the title barium coordination polymer, [Ba(C6H2N3O7)2(C2H6OS)]n, consists of a barium cation (site symmetry m) and a dimethyl sulfoxide (DMSO) ligand (point group symmetry m) and a 2,4,6-trinitrophenolate anion located in general positions. The S atom and the methyl group of DMSO are disordered over two sets of sites. The DMSO ligand bridges a pair of BaII atoms resulting in a chain extending parallel to the a axis. The unique 2,4,6-trinitrophenolate anion also bridges a pair of BaII ions via the phenolic oxygen atom, with each BaII being additionally bonded to an oxygen atom of an adjacent nitro group. The μ2-monoatomic bridging binding mode of both types of ligands results in the formation of an infinite chain of face-sharing {BaO10} polyhedra flanked by the remaining parts of the 2,4,6-trinitrophenolato and DMSO ligands. In the one-dimensional coordination polymer, parallel chains are interlinked with the aid of C—H...O hydrogen bonds. |
| first_indexed | 2024-12-13T15:23:45Z |
| format | Article |
| id | doaj.art-a1fb168d54f44bf08edece84f417693f |
| institution | Directory Open Access Journal |
| issn | 2414-3146 |
| language | English |
| last_indexed | 2024-12-13T15:23:45Z |
| publishDate | 2020-11-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | IUCrData |
| spelling | doaj.art-a1fb168d54f44bf08edece84f417693f2022-12-21T23:40:27ZengInternational Union of CrystallographyIUCrData2414-31462020-11-01511x20149810.1107/S2414314620014984wm4142catena-Poly[barium(II)-μ2-(dimethyl sulfoxide)-κ2O:O-bis(μ2-2,4,6-trinitrophenolato-κ4O2,O1:O1,O6)]Bikshandarkoil R. Srinivasan0Neha U. Parsekar1Kedar U. Narvekar2School of Chemical Sciences, Goa University, Goa 403206, IndiaSchool of Chemical Sciences, Goa University, Goa 403206, IndiaSchool of Chemical Sciences, Goa University, Goa 403206, IndiaThe asymmetric unit of the title barium coordination polymer, [Ba(C6H2N3O7)2(C2H6OS)]n, consists of a barium cation (site symmetry m) and a dimethyl sulfoxide (DMSO) ligand (point group symmetry m) and a 2,4,6-trinitrophenolate anion located in general positions. The S atom and the methyl group of DMSO are disordered over two sets of sites. The DMSO ligand bridges a pair of BaII atoms resulting in a chain extending parallel to the a axis. The unique 2,4,6-trinitrophenolate anion also bridges a pair of BaII ions via the phenolic oxygen atom, with each BaII being additionally bonded to an oxygen atom of an adjacent nitro group. The μ2-monoatomic bridging binding mode of both types of ligands results in the formation of an infinite chain of face-sharing {BaO10} polyhedra flanked by the remaining parts of the 2,4,6-trinitrophenolato and DMSO ligands. In the one-dimensional coordination polymer, parallel chains are interlinked with the aid of C—H...O hydrogen bonds.http://scripts.iucr.org/cgi-bin/paper?S2414314620014984crystal structurebariumpicrate anionone-dimensional coordination polymer |
| spellingShingle | Bikshandarkoil R. Srinivasan Neha U. Parsekar Kedar U. Narvekar catena-Poly[barium(II)-μ2-(dimethyl sulfoxide)-κ2O:O-bis(μ2-2,4,6-trinitrophenolato-κ4O2,O1:O1,O6)] IUCrData crystal structure barium picrate anion one-dimensional coordination polymer |
| title | catena-Poly[barium(II)-μ2-(dimethyl sulfoxide)-κ2O:O-bis(μ2-2,4,6-trinitrophenolato-κ4O2,O1:O1,O6)] |
| title_full | catena-Poly[barium(II)-μ2-(dimethyl sulfoxide)-κ2O:O-bis(μ2-2,4,6-trinitrophenolato-κ4O2,O1:O1,O6)] |
| title_fullStr | catena-Poly[barium(II)-μ2-(dimethyl sulfoxide)-κ2O:O-bis(μ2-2,4,6-trinitrophenolato-κ4O2,O1:O1,O6)] |
| title_full_unstemmed | catena-Poly[barium(II)-μ2-(dimethyl sulfoxide)-κ2O:O-bis(μ2-2,4,6-trinitrophenolato-κ4O2,O1:O1,O6)] |
| title_short | catena-Poly[barium(II)-μ2-(dimethyl sulfoxide)-κ2O:O-bis(μ2-2,4,6-trinitrophenolato-κ4O2,O1:O1,O6)] |
| title_sort | catena poly barium ii μ2 dimethyl sulfoxide κ2o o bis μ2 2 4 6 trinitrophenolato κ4o2 o1 o1 o6 |
| topic | crystal structure barium picrate anion one-dimensional coordination polymer |
| url | http://scripts.iucr.org/cgi-bin/paper?S2414314620014984 |
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