Cadmium(II) thio- and selenocyanate complexes of 3,3'-bis(1,2,4-triazol-4-yl)-1,1'-biadamantane, a ligand designed with an 'extended nanodiamond' aliphatic platform

Ganna A Senchyk; Andrey B Lysenko; Eduard B Rusanov; Alexander N Chernega; Konstantin V Domasevitch

doi:10.1107/S0108270110021050

Cadmium(II) thio- and selenocyanate complexes of 3,3'-bis(1,2,4-triazol-4-yl)-1,1'-biadamantane, a ligand designed with an 'extended nanodiamond' aliphatic platform

Acta Crystallogr C. 2010 Jul;66(Pt 7):m180-3. doi: 10.1107/S0108270110021050. Epub 2010 Jun 5.

Authors

Ganna A Senchyk¹, Andrey B Lysenko, Eduard B Rusanov, Alexander N Chernega, Konstantin V Domasevitch

Affiliation

¹ Inorganic Chemistry Department, National Taras Shevchenko University of Kyiv, Volodimirska Street 64, Kyiv 01033, Ukraine.

PMID: 20603551
DOI: 10.1107/S0108270110021050

Abstract

In the structures of the Cd(II) pseudohalide coordination polymer poly[[diaquabis[mu(2)-3,3'-bis(1,2,4-triazol-4-yl)-1,1'-biadamantane-kappa(2)N(1):N(1')]cadmium(II)] dithiocyanate dihydrate], {[Cd(C(24)H(32)N(6))(2)(H(2)O)(2)](NCS)(2).2H(2)O}(n), (I), and the isomorphous selenocyanate analogue, {[Cd(C(24)H(32)N(6))(2)(H(2)O)(2)](NCSe)(2).2H(2)O}(n), (II), the Cd(II) cations occupy inversion centres and have octahedral CdN(4)O(2) environments, completed by four N atoms of the organic ligands [Cd-N = 2.316 (2) and 2.361 (2) A for (I), and 2.313 (3) and 2.372 (3) A for (II)] and two trans-coordinated aqua ligands [Cd-O = 2.3189 (15) A for (I) and 2.323 (2) A for (II)]. In each compound, the ligand displays a bidentate N(1):N(1')-bridging mode, connecting the metal centres at a distance of 14.66 A into two-dimensional nets of (4,4)-topology, while the uncoordinated thio(seleno)cyanate anions reside inside the net cavities. Hydrogen bonding between the water molecules, anions and 1,2,4-triazole N atoms supports the tight packing, with an interlayer distance of 6.09 A.