Crystal structure of aqua-(2-{[2-({2-[bis-(carboxyl-ato-κ O -meth-yl)amino-κ N ]eth-yl}(carboxyl-ato-κ O -meth-yl)amino-κ N)eth-yl](carb-oxy-meth-yl)aza-niumyl}acetato)-gallium(III) trihydrate

Martin Wallin; Peter Turner; Andrew Katsifis; Mingshi Yang; Hak Kim Chan

doi:10.1107/S2056989018009428

Crystal structure of aqua-(2-{[2-({2-[bis-(carboxyl-ato-κ O -meth-yl)amino-κ N ]eth-yl}(carboxyl-ato-κ O -meth-yl)amino-κ N)eth-yl](carb-oxy-meth-yl)aza-niumyl}acetato)-gallium(III) trihydrate

Martin Wallin, Peter Turner, Andrew Katsifis, Mingshi Yang, Hak Kim Chan^*

^*Corresponding author for this work

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Abstract

In the title Ga III complex compound with pentetic acid, [Ga(C₁₄ H₂₀ N₃ O₁₀)(H₂ O)]·3H₂ O, the Ga III centre is bound in a slightly distorted octa-hedral coordination sphere by two amine N atoms, three carboxyl-ate O atoms and one water O atom. The complex mol-ecule exists as a zwitterion. In the crystal, the complexes are linked to each other via O - H ... O and C - H ... O hydrogen bonds, forming layers parallel to (001). Three uncoordinating water mol-ecules link the complex layers via O - H ... O, N - H ... O and C - H ... O hydrogen bonds, forming a three-dimensional network.

Original language	English
Journal	Acta Crystallographica Section E: Crystallographic Communications
Volume	E74
Pages (from-to)	1054-1057
ISSN	1600-5368
DOIs	https://doi.org/10.1107/S2056989018009428
Publication status	Published - 2018

Keywords

chelating agents
crystal structure
DTPA
gallium radioisotopes
pentetic acid

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Wallin, M., Turner, P., Katsifis, A., Yang, M., & Chan, H. K. (2018). Crystal structure of aqua-(2-{[2-({2-[bis-(carboxyl-ato-κ O -meth-yl)amino-κ N ]eth-yl}(carboxyl-ato-κ O -meth-yl)amino-κ N)eth-yl](carb-oxy-meth-yl)aza-niumyl}acetato)-gallium(III) trihydrate. Acta Crystallographica Section E: Crystallographic Communications, E74, 1054-1057. https://doi.org/10.1107/S2056989018009428

Crystal structure of aqua-(2-{[2-({2-[bis-(carboxyl-ato-κ O -meth-yl)amino-κ N ]eth-yl}(carboxyl-ato-κ O -meth-yl)amino-κ N)eth-yl](carb-oxy-meth-yl)aza-niumyl}acetato)-gallium(III) trihydrate. / Wallin, Martin; Turner, Peter; Katsifis, Andrew et al.

In: Acta Crystallographica Section E: Crystallographic Communications, Vol. E74, 2018, p. 1054-1057.

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

Wallin, M, Turner, P, Katsifis, A, Yang, M & Chan, HK 2018, 'Crystal structure of aqua-(2-{[2-({2-[bis-(carboxyl-ato-κ O -meth-yl)amino-κ N ]eth-yl}(carboxyl-ato-κ O -meth-yl)amino-κ N)eth-yl](carb-oxy-meth-yl)aza-niumyl}acetato)-gallium(III) trihydrate', Acta Crystallographica Section E: Crystallographic Communications, vol. E74, pp. 1054-1057. https://doi.org/10.1107/S2056989018009428

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title = "Crystal structure of aqua-(2-{[2-({2-[bis-(carboxyl-ato-κ O -meth-yl)amino-κ N ]eth-yl}(carboxyl-ato-κ O -meth-yl)amino-κ N)eth-yl](carb-oxy-meth-yl)aza-niumyl}acetato)-gallium(III) trihydrate",

abstract = "In the title Ga III complex compound with pentetic acid, [Ga(C14 H20 N3 O10)(H2 O)]·3H2 O, the Ga III centre is bound in a slightly distorted octa-hedral coordination sphere by two amine N atoms, three carboxyl-ate O atoms and one water O atom. The complex mol-ecule exists as a zwitterion. In the crystal, the complexes are linked to each other via O - H ... O and C - H ... O hydrogen bonds, forming layers parallel to (001). Three uncoordinating water mol-ecules link the complex layers via O - H ... O, N - H ... O and C - H ... O hydrogen bonds, forming a three-dimensional network.",

keywords = "chelating agents, crystal structure, DTPA, gallium radioisotopes, pentetic acid",

author = "Martin Wallin and Peter Turner and Andrew Katsifis and Mingshi Yang and Chan, {Hak Kim}",

year = "2018",

doi = "10.1107/S2056989018009428",

language = "English",

volume = "E74",

pages = "1054--1057",

journal = "Acta Crystallographica Section E: Structure Reports Online",

issn = "1600-5368",

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TY - JOUR

T1 - Crystal structure of aqua-(2-{[2-({2-[bis-(carboxyl-ato-κ O -meth-yl)amino-κ N ]eth-yl}(carboxyl-ato-κ O -meth-yl)amino-κ N)eth-yl](carb-oxy-meth-yl)aza-niumyl}acetato)-gallium(III) trihydrate

AU - Wallin, Martin

AU - Turner, Peter

AU - Katsifis, Andrew

AU - Yang, Mingshi

AU - Chan, Hak Kim

PY - 2018

Y1 - 2018

N2 - In the title Ga III complex compound with pentetic acid, [Ga(C14 H20 N3 O10)(H2 O)]·3H2 O, the Ga III centre is bound in a slightly distorted octa-hedral coordination sphere by two amine N atoms, three carboxyl-ate O atoms and one water O atom. The complex mol-ecule exists as a zwitterion. In the crystal, the complexes are linked to each other via O - H ... O and C - H ... O hydrogen bonds, forming layers parallel to (001). Three uncoordinating water mol-ecules link the complex layers via O - H ... O, N - H ... O and C - H ... O hydrogen bonds, forming a three-dimensional network.

AB - In the title Ga III complex compound with pentetic acid, [Ga(C14 H20 N3 O10)(H2 O)]·3H2 O, the Ga III centre is bound in a slightly distorted octa-hedral coordination sphere by two amine N atoms, three carboxyl-ate O atoms and one water O atom. The complex mol-ecule exists as a zwitterion. In the crystal, the complexes are linked to each other via O - H ... O and C - H ... O hydrogen bonds, forming layers parallel to (001). Three uncoordinating water mol-ecules link the complex layers via O - H ... O, N - H ... O and C - H ... O hydrogen bonds, forming a three-dimensional network.

KW - chelating agents

KW - crystal structure

KW - DTPA

KW - gallium radioisotopes

KW - pentetic acid

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U2 - 10.1107/S2056989018009428

DO - 10.1107/S2056989018009428

M3 - Journal article

C2 - 30116560

AN - SCOPUS:85051114700

SN - 1600-5368

VL - E74

SP - 1054

EP - 1057

JO - Acta Crystallographica Section E: Structure Reports Online

JF - Acta Crystallographica Section E: Structure Reports Online

ER -

Crystal structure of aqua-(2-{[2-({2-[bis-(carboxyl-ato-κ O -meth-yl)amino-κ N ]eth-yl}(carboxyl-ato-κ O -meth-yl)amino-κ N)eth-yl](carb-oxy-meth-yl)aza-niumyl}acetato)-gallium(III) trihydrate

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