Bis[tris(3,5-dimethyl-1H-pyrazol-1-yl-κN2)methyl]sodium trifluoromethanesulfonate
In the title salt, [Na(C16H22N6)2]CF3SO3, the Na+ cation is coordinated by six N atoms from two tridentate tris(3,5-dimethylpyrazol-1-yl)methane ligands in a distorted octahedral geometry. The Na—N distances range from 2.427 (3) to 2.507 (3) &a...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2012-07-01
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| Series: | Acta Crystallographica Section E |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S1600536812028413 |
| _version_ | 1818974172807692288 |
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| author | Ganna Lyubartseva Sean Parkin Uma Prasad Mallik |
| author_facet | Ganna Lyubartseva Sean Parkin Uma Prasad Mallik |
| author_sort | Ganna Lyubartseva |
| collection | DOAJ |
| description | In the title salt, [Na(C16H22N6)2]CF3SO3, the Na+ cation is coordinated by six N atoms from two tridentate tris(3,5-dimethylpyrazol-1-yl)methane ligands in a distorted octahedral geometry. The Na—N distances range from 2.427 (3) to 2.507 (3) Å, intra-ligand N—Na—N angles range from 74.71 (8) to 79.31 (9)°, and adjacent inter-ligand N—Na—N angles range between 100.42 (9) and 104.97 (9)°. The structure is twinned by inversion [occupancy factors = 0.50 (9)] and the trifluoromethanesulfonate anion is disordered, with two end-over-end orientations of unequal occupancy [0.781 (3) and 0.219 (3)]. |
| first_indexed | 2024-12-20T15:35:50Z |
| format | Article |
| id | doaj.art-ca8f91b7b1854f78b042c237d48523c1 |
| institution | Directory Open Access Journal |
| issn | 1600-5368 |
| language | English |
| last_indexed | 2024-12-20T15:35:50Z |
| publishDate | 2012-07-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E |
| spelling | doaj.art-ca8f91b7b1854f78b042c237d48523c12022-12-21T19:35:25ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682012-07-01687m973m97310.1107/S1600536812028413Bis[tris(3,5-dimethyl-1H-pyrazol-1-yl-κN2)methyl]sodium trifluoromethanesulfonateGanna LyubartsevaSean ParkinUma Prasad MallikIn the title salt, [Na(C16H22N6)2]CF3SO3, the Na+ cation is coordinated by six N atoms from two tridentate tris(3,5-dimethylpyrazol-1-yl)methane ligands in a distorted octahedral geometry. The Na—N distances range from 2.427 (3) to 2.507 (3) Å, intra-ligand N—Na—N angles range from 74.71 (8) to 79.31 (9)°, and adjacent inter-ligand N—Na—N angles range between 100.42 (9) and 104.97 (9)°. The structure is twinned by inversion [occupancy factors = 0.50 (9)] and the trifluoromethanesulfonate anion is disordered, with two end-over-end orientations of unequal occupancy [0.781 (3) and 0.219 (3)].http://scripts.iucr.org/cgi-bin/paper?S1600536812028413 |
| spellingShingle | Ganna Lyubartseva Sean Parkin Uma Prasad Mallik Bis[tris(3,5-dimethyl-1H-pyrazol-1-yl-κN2)methyl]sodium trifluoromethanesulfonate Acta Crystallographica Section E |
| title | Bis[tris(3,5-dimethyl-1H-pyrazol-1-yl-κN2)methyl]sodium trifluoromethanesulfonate |
| title_full | Bis[tris(3,5-dimethyl-1H-pyrazol-1-yl-κN2)methyl]sodium trifluoromethanesulfonate |
| title_fullStr | Bis[tris(3,5-dimethyl-1H-pyrazol-1-yl-κN2)methyl]sodium trifluoromethanesulfonate |
| title_full_unstemmed | Bis[tris(3,5-dimethyl-1H-pyrazol-1-yl-κN2)methyl]sodium trifluoromethanesulfonate |
| title_short | Bis[tris(3,5-dimethyl-1H-pyrazol-1-yl-κN2)methyl]sodium trifluoromethanesulfonate |
| title_sort | bis tris 3 5 dimethyl 1h pyrazol 1 yl amp 954 n2 methyl sodium trifluoromethanesulfonate |
| url | http://scripts.iucr.org/cgi-bin/paper?S1600536812028413 |
| work_keys_str_mv | AT gannalyubartseva bistris35dimethyl1hpyrazol1ylamp954n2methylsodiumtrifluoromethanesulfonate AT seanparkin bistris35dimethyl1hpyrazol1ylamp954n2methylsodiumtrifluoromethanesulfonate AT umaprasadmallik bistris35dimethyl1hpyrazol1ylamp954n2methylsodiumtrifluoromethanesulfonate |