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Bis[tris-(3,5-dimethyl-1H-pyrazol-1-yl-?N(2))meth-yl]sodium trifluoro-methane-sulfonate.

ABSTRACT: In the title salt, [Na(C(16)H(22)N(6))(2)]CF(3)SO(3), the Na(+) cation is coordinated by six N atoms from two tridentate tris-(3,5-dimethyl-pyrazol-1-yl)methane ligands in a distorted octa-hedral 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 trifluoro-methane-sulfonate anion is disordered, with two end-over-end orientations of unequal occupancy [0.781?(3) and 0.219?(3)].

SUBMITTER: Lyubartseva G

PROVIDER: S-EPMC3393224 | biostudies-literature | 2012 Jul

REPOSITORIES: biostudies-literature

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Bis[tris-(3,5-dimethyl-1H-pyrazol-1-yl-κN(2))meth-yl]sodium trifluoro-methane-sulfonate.

Lyubartseva Ganna G Parkin Sean S Mallik Uma Prasad UP

Acta crystallographica. Section E, Structure reports online 20120630 Pt 7

In the title salt, [Na(C(16)H(22)N(6))(2)]CF(3)SO(3), the Na(+) cation is coordinated by six N atoms from two tridentate tris-(3,5-dimethyl-pyrazol-1-yl)methane ligands in a distorted octa-hedral 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 trifluoro-methan ...[more]

PMID: 22807792

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