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Di-?-but-2-enoato-bis-[diaqua-bis(but-2-enoato)neodymium(III)] 2,6-diamino-purine disolvate.


ABSTRACT: The title Nd complex [Nd(2)(C(4)H(5)O(2))(6)(H(2)O)(4)]·2C(5)H(6)N(6) is isotypic with two previously reported Dy and Ho isologues. It is composed of [Nd(crot)(3)(H(2)O)(2)](2) dimers [crot(onate) = but-2-enoate = C(4)H(5)O(2)], built up around symmetry centres and completed by 2,6-diamine-purine mol-ecules acting as solvates. The neodymium cations are coordinated by three chelating crotonato units and two water mol-ecules. One of the chelating carboxyl-ates acts also in a bridging mode, sharing one oxygen with both cations, and the final result is a pair of NdO(9) tricapped prismatic polyhedra linked to each other through a central (Nd-O)(2) loop. A most attractive aspect of the structures resides in the existence of a complex inter-molecular hydrogen-bonding interaction scheme involving two sets of tightly inter-linked, non-inter-secting one-dimensional structures, one of them formed by the [Nd(crot)(3)(H(2)O)(2)](2) dimers running along [100] and the second by the solvate mol-ecules evolving along [010].

SUBMITTER: Atria AM 

PROVIDER: S-EPMC3200908 | biostudies-other | 2011 Sep

REPOSITORIES: biostudies-other

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Di-μ-but-2-enoato-bis-[diaqua-bis(but-2-enoato)neodymium(III)] 2,6-diamino-purine disolvate.

Atria Ana María AM   Astete Alan A   Garland Maria Teresa MT   Baggio Ricardo R  

Acta crystallographica. Section E, Structure reports online 20110802 Pt 9


The title Nd complex [Nd(2)(C(4)H(5)O(2))(6)(H(2)O)(4)]·2C(5)H(6)N(6) is isotypic with two previously reported Dy and Ho isologues. It is composed of [Nd(crot)(3)(H(2)O)(2)](2) dimers [crot(onate) = but-2-enoate = C(4)H(5)O(2)], built up around symmetry centres and completed by 2,6-diamine-purine mol-ecules acting as solvates. The neodymium cations are coordinated by three chelating crotonato units and two water mol-ecules. One of the chelating carboxyl-ates acts also in a bridging mode, sharing  ...[more]