Structures of the yttrium complexes of 1,4,7,10-tetraazacyclododecane-N,N′,N″,N‴-tetraacetic acid (H4dota) and N,N″-bis(benzylcarbamoylmethyl)diethylenetriamine-N,N′,N′- triacetic acid and the solution structure of a zirconium complex of H4dota

David Parker; Kanthi Pulukkody; Fiona C. Smith; Andrei Batsanov; Judith A.K. Howard

doi:10.1039/DT9940000689

Structures of the yttrium complexes of 1,4,7,10-tetraazacyclododecane-N,N′,N″,N‴-tetraacetic acid (H₄dota) and N,N″-bis(benzylcarbamoylmethyl)diethylenetriamine-N,N′,N′- triacetic acid and the solution structure of a zirconium complex of H₄dota

David Parker^*
, Kanthi Pulukkody
, Fiona C. Smith
, Andrei Batsanov
, Judith A.K. Howard

^*Corresponding author for this work

Department of Chemistry

Research output: Contribution to journal › Journal article › peer-review

109 Citations (Scopus)

Abstract

The solid-state crystal structure of Na[Y(dota)(H₂O)]·4H₂O (H₄dota = 1,4,7,10-tetraazacyclododecane-N,N′,N″,N‴-tetraacetic acid) at 115 K has been obtained together with the solution structure of the neutral zirconium complex. The yttrium complex shows a mono-capped (H₂O) square-antiprismatic structure while the solution ¹H NMR spectra of [Zr(dota)(H₂O)] suggest that a structure of lower symmetry is adopted and a minor isomer is observed. The crystal structure of the yttrium complex of N,N″-bis(benzylcarbamoylmethyl)diethylenetriamine-N,N′,N″- triacetic acid has revealed amide carbonyl ligation in a distorted mono-capped square-antiprismatic structure, with one metal-bound water molecule.

Original language	English
Pages (from-to)	689-693
Number of pages	5
Journal	Journal of the Chemical Society, Dalton Transactions
Issue number	5
DOIs	https://doi.org/10.1039/DT9940000689
Publication status	Published - Mar 1994

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Parker, D., Pulukkody, K., Smith, F. C., Batsanov, A., & Howard, J. A. K. (1994). Structures of the yttrium complexes of 1,4,7,10-tetraazacyclododecane-N,N′,N″,N‴-tetraacetic acid (H₄dota) and N,N″-bis(benzylcarbamoylmethyl)diethylenetriamine-N,N′,N′- triacetic acid and the solution structure of a zirconium complex of H₄dota. Journal of the Chemical Society, Dalton Transactions, (5), 689-693. https://doi.org/10.1039/DT9940000689

Parker, David ; Pulukkody, Kanthi ; Smith, Fiona C. et al. / Structures of the yttrium complexes of 1,4,7,10-tetraazacyclododecane-N,N′,N″,N‴-tetraacetic acid (H₄dota) and N,N″-bis(benzylcarbamoylmethyl)diethylenetriamine-N,N′,N′- triacetic acid and the solution structure of a zirconium complex of H₄dota. In: Journal of the Chemical Society, Dalton Transactions. 1994 ; No. 5. pp. 689-693.

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title = "Structures of the yttrium complexes of 1,4,7,10-tetraazacyclododecane-N,N′,N″,N‴-tetraacetic acid (H4dota) and N,N″-bis(benzylcarbamoylmethyl)diethylenetriamine-N,N′,N′- triacetic acid and the solution structure of a zirconium complex of H4dota",

abstract = "The solid-state crystal structure of Na[Y(dota)(H2O)]·4H2O (H4dota = 1,4,7,10-tetraazacyclododecane-N,N′,N″,N‴-tetraacetic acid) at 115 K has been obtained together with the solution structure of the neutral zirconium complex. The yttrium complex shows a mono-capped (H2O) square-antiprismatic structure while the solution 1H NMR spectra of [Zr(dota)(H2O)] suggest that a structure of lower symmetry is adopted and a minor isomer is observed. The crystal structure of the yttrium complex of N,N″-bis(benzylcarbamoylmethyl)diethylenetriamine-N,N′,N″- triacetic acid has revealed amide carbonyl ligation in a distorted mono-capped square-antiprismatic structure, with one metal-bound water molecule.",

author = "David Parker and Kanthi Pulukkody and Smith, \{Fiona C.\} and Andrei Batsanov and Howard, \{Judith A.K.\}",

year = "1994",

month = mar,

doi = "10.1039/DT9940000689",

language = "English",

pages = "689--693",

journal = "Journal of the Chemical Society, Dalton Transactions",

issn = "1472-7773",

publisher = "Royal Society of Chemistry",

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Parker, D, Pulukkody, K, Smith, FC, Batsanov, A & Howard, JAK 1994, 'Structures of the yttrium complexes of 1,4,7,10-tetraazacyclododecane-N,N′,N″,N‴-tetraacetic acid (H₄dota) and N,N″-bis(benzylcarbamoylmethyl)diethylenetriamine-N,N′,N′- triacetic acid and the solution structure of a zirconium complex of H₄dota', Journal of the Chemical Society, Dalton Transactions, no. 5, pp. 689-693. https://doi.org/10.1039/DT9940000689

Structures of the yttrium complexes of 1,4,7,10-tetraazacyclododecane-N,N′,N″,N‴-tetraacetic acid (H₄dota) and N,N″-bis(benzylcarbamoylmethyl)diethylenetriamine-N,N′,N′- triacetic acid and the solution structure of a zirconium complex of H₄dota. / Parker, David; Pulukkody, Kanthi; Smith, Fiona C. et al.
In: Journal of the Chemical Society, Dalton Transactions, No. 5, 03.1994, p. 689-693.

Research output: Contribution to journal › Journal article › peer-review

TY - JOUR

T1 - Structures of the yttrium complexes of 1,4,7,10-tetraazacyclododecane-N,N′,N″,N‴-tetraacetic acid (H4dota) and N,N″-bis(benzylcarbamoylmethyl)diethylenetriamine-N,N′,N′- triacetic acid and the solution structure of a zirconium complex of H4dota

AU - Parker, David

AU - Pulukkody, Kanthi

AU - Smith, Fiona C.

AU - Batsanov, Andrei

AU - Howard, Judith A.K.

PY - 1994/3

Y1 - 1994/3

N2 - The solid-state crystal structure of Na[Y(dota)(H2O)]·4H2O (H4dota = 1,4,7,10-tetraazacyclododecane-N,N′,N″,N‴-tetraacetic acid) at 115 K has been obtained together with the solution structure of the neutral zirconium complex. The yttrium complex shows a mono-capped (H2O) square-antiprismatic structure while the solution 1H NMR spectra of [Zr(dota)(H2O)] suggest that a structure of lower symmetry is adopted and a minor isomer is observed. The crystal structure of the yttrium complex of N,N″-bis(benzylcarbamoylmethyl)diethylenetriamine-N,N′,N″- triacetic acid has revealed amide carbonyl ligation in a distorted mono-capped square-antiprismatic structure, with one metal-bound water molecule.

AB - The solid-state crystal structure of Na[Y(dota)(H2O)]·4H2O (H4dota = 1,4,7,10-tetraazacyclododecane-N,N′,N″,N‴-tetraacetic acid) at 115 K has been obtained together with the solution structure of the neutral zirconium complex. The yttrium complex shows a mono-capped (H2O) square-antiprismatic structure while the solution 1H NMR spectra of [Zr(dota)(H2O)] suggest that a structure of lower symmetry is adopted and a minor isomer is observed. The crystal structure of the yttrium complex of N,N″-bis(benzylcarbamoylmethyl)diethylenetriamine-N,N′,N″- triacetic acid has revealed amide carbonyl ligation in a distorted mono-capped square-antiprismatic structure, with one metal-bound water molecule.

UR - https://www.scopus.com/pages/publications/37049072369

U2 - 10.1039/DT9940000689

DO - 10.1039/DT9940000689

M3 - Journal article

AN - SCOPUS:37049072369

SN - 1472-7773

SP - 689

EP - 693

JO - Journal of the Chemical Society, Dalton Transactions

JF - Journal of the Chemical Society, Dalton Transactions

IS - 5

ER -