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Single crystal structure determination of a new zirconium N-ethylpyridinium phosphonate: Zr(O(3)PCH(2)CH(2)NC(5)H(5))(F(-))(3).

Authors
  • Vermeulen, Lori A
  • Fateen, Rasheta Z
  • Robinson, Paul D
Type
Published Article
Journal
Inorganic chemistry
Publication Date
May 06, 2002
Volume
41
Issue
9
Pages
2310–2312
Identifiers
PMID: 11978090
Source
Medline
License
Unknown

Abstract

We describe the structure of a new zirconium N-ethylpyridinium phosphonate, Zr(O(3)PCH(2)CH(2)NC(5)H(5))(F(-))(3), that has been determined by single-crystal X-ray analysis (monoclinic, P2(1)/c (No. 14), a = 12.3634(12) A, b = 9.3090(17) A, c = 9.8077(13) A, beta = 112.819(8) degrees, V = 1040.4(3) A(3), Z = 4). This structure is unlike any other reported zirconium phosphonate. Octahedral coordination about zirconium is completed by three oxygen atoms of three different phosphonate groups and three fluoride ligands. The structure is composed of corrugated infinite layers of these Zr octahedra that corner share their three oxygen atoms with the phosphonate tetrahedra. The appended cationic pyridinium groups lie between the inorganic sheets and are charge-balanced by the [Zr(O(3)P-)(3)F(3)](-) octahedra. This structure represents a new example of the structure-directing influence of cationic organic ligands on the zirconium phosphonate framework.

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