Synthesis and crystallographic characterization of [Eu(C18H18N6)(OAc)2 +][Cl-] ̇ 7H2O, a ten-coordinate Eu(III) complex with a close-to-planar hexadentate C18H18N6 ligand: An interesting case of a structure with multiple disorder problems

Melvyn Rowen Churchill; Charles H. Lake; Lisa A. Buttrey; Janet R. Morrow

doi:10.1080/00958970008054939

Synthesis and crystallographic characterization of [Eu(C₁₈H₁₈N₆)(OAc)₂ ⁺][Cl^-] ̇ 7H₂O, a ten-coordinate Eu(III) complex with a close-to-planar hexadentate C₁₈H₁₈N6 ligand: An interesting case of a structure with multiple disorder problems

Melvyn Rowen Churchill
, Charles H. Lake
, Lisa A. Buttrey
, Janet R. Morrow

Chemistry

SUNY Buffalo

Research output: Contribution to journal › Article › peer-review

4 Scopus citations

Abstract

The title compound crystallizes in the centrosymmetric triclinic space group P1̄ (No. 2) with a = 8.7080(18)Å, b = 9.2777(14)Å, c = 10.2707(22)Å, α = 77.762(14)°, β = 77.482(17)°, γ = 84.735(15)°, V = 790.7(3)Å³ and Z= 1. The structure was solved and refined to R = 2.37% and wR = 3.19% for all 2073 independent reflections. The structure is disordered, with overlapping images of two enantiomeric [Eu(C₁₈H₁₈N₆)(OAc)₂⁺] ions surrounding an inversion center on which lies a Eu(III) cation. These two images correspond to isomers with λλ and δδ conformations of their N-CH₂-CH₂-N moieties. The ten-coordinate europium(III) cation has a staggered 2:6:2 coordination geometry, with six equatorial Eu-N bonds to the hexadentate macrocyclic ligand and two quasi-axial Eu-O bonds to each of the two bidentate acetate ligands. Further manifestations of disorder occur for the acetate ligands and for H₂O/Cl^- sites in the crystal lattice.

Original language	English
Pages (from-to)	339-352
Number of pages	14
Journal	Journal of Coordination Chemistry
Volume	50
Issue number	3-4
DOIs	https://doi.org/10.1080/00958970008054939
State	Published - 2000

Keywords

Crystal structure
Disorder
Europium(III)
Macrocyclic CHN ligand
Schiff base
Ten-coordination

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Churchill, M. R., Lake, C. H., Buttrey, L. A., & Morrow, J. R. (2000). Synthesis and crystallographic characterization of [Eu(C₁₈H₁₈N₆)(OAc)₂ ⁺][Cl^-] ̇ 7H₂O, a ten-coordinate Eu(III) complex with a close-to-planar hexadentate C₁₈H₁₈N6 ligand: An interesting case of a structure with multiple disorder problems. Journal of Coordination Chemistry, 50(3-4), 339-352. https://doi.org/10.1080/00958970008054939

Churchill, Melvyn Rowen ; Lake, Charles H. ; Buttrey, Lisa A. et al. / Synthesis and crystallographic characterization of [Eu(C₁₈H₁₈N₆)(OAc)₂ ⁺][Cl^-] ̇ 7H₂O, a ten-coordinate Eu(III) complex with a close-to-planar hexadentate C₁₈H₁₈N6 ligand : An interesting case of a structure with multiple disorder problems. In: Journal of Coordination Chemistry. 2000 ; Vol. 50, No. 3-4. pp. 339-352.

@article{98a6e2b8dfa64db59de20ed505b2090b,

title = "Synthesis and crystallographic characterization of [Eu(C18H18N6)(OAc)2 +][Cl-]{\. } 7H2O, a ten-coordinate Eu(III) complex with a close-to-planar hexadentate C18H18N6 ligand: An interesting case of a structure with multiple disorder problems",

abstract = "The title compound crystallizes in the centrosymmetric triclinic space group P{\=1} (No. 2) with a = 8.7080(18){\AA}, b = 9.2777(14){\AA}, c = 10.2707(22){\AA}, α = 77.762(14)°, β = 77.482(17)°, γ = 84.735(15)°, V = 790.7(3){\AA}3 and Z= 1. The structure was solved and refined to R = 2.37\% and wR = 3.19\% for all 2073 independent reflections. The structure is disordered, with overlapping images of two enantiomeric [Eu(C18H18N6)(OAc)2+] ions surrounding an inversion center on which lies a Eu(III) cation. These two images correspond to isomers with λλ and δδ conformations of their N-CH2-CH2-N moieties. The ten-coordinate europium(III) cation has a staggered 2:6:2 coordination geometry, with six equatorial Eu-N bonds to the hexadentate macrocyclic ligand and two quasi-axial Eu-O bonds to each of the two bidentate acetate ligands. Further manifestations of disorder occur for the acetate ligands and for H2O/Cl- sites in the crystal lattice.",

keywords = "Crystal structure, Disorder, Europium(III), Macrocyclic CHN ligand, Schiff base, Ten-coordination",

author = "Churchill, \{Melvyn Rowen\} and Lake, \{Charles H.\} and Buttrey, \{Lisa A.\} and Morrow, \{Janet R.\}",

year = "2000",

doi = "10.1080/00958970008054939",

language = "English",

volume = "50",

pages = "339--352",

journal = "Journal of Coordination Chemistry",

issn = "0095-8972",

publisher = "Taylor and Francis Ltd.",

number = "3-4",

}

Churchill, MR, Lake, CH, Buttrey, LA & Morrow, JR 2000, 'Synthesis and crystallographic characterization of [Eu(C₁₈H₁₈N₆)(OAc)₂ ⁺][Cl^-] ̇ 7H₂O, a ten-coordinate Eu(III) complex with a close-to-planar hexadentate C₁₈H₁₈N6 ligand: An interesting case of a structure with multiple disorder problems', Journal of Coordination Chemistry, vol. 50, no. 3-4, pp. 339-352. https://doi.org/10.1080/00958970008054939

Synthesis and crystallographic characterization of [Eu(C₁₈H₁₈N₆)(OAc)₂ ⁺][Cl^-] ̇ 7H₂O, a ten-coordinate Eu(III) complex with a close-to-planar hexadentate C₁₈H₁₈N6 ligand: An interesting case of a structure with multiple disorder problems. / Churchill, Melvyn Rowen; Lake, Charles H.; Buttrey, Lisa A. et al.
In: Journal of Coordination Chemistry, Vol. 50, No. 3-4, 2000, p. 339-352.

Research output: Contribution to journal › Article › peer-review

TY - JOUR

T1 - Synthesis and crystallographic characterization of [Eu(C18H18N6)(OAc)2 +][Cl-] ̇ 7H2O, a ten-coordinate Eu(III) complex with a close-to-planar hexadentate C18H18N6 ligand

T2 - An interesting case of a structure with multiple disorder problems

AU - Churchill, Melvyn Rowen

AU - Lake, Charles H.

AU - Buttrey, Lisa A.

AU - Morrow, Janet R.

PY - 2000

Y1 - 2000

N2 - The title compound crystallizes in the centrosymmetric triclinic space group P1̄ (No. 2) with a = 8.7080(18)Å, b = 9.2777(14)Å, c = 10.2707(22)Å, α = 77.762(14)°, β = 77.482(17)°, γ = 84.735(15)°, V = 790.7(3)Å3 and Z= 1. The structure was solved and refined to R = 2.37% and wR = 3.19% for all 2073 independent reflections. The structure is disordered, with overlapping images of two enantiomeric [Eu(C18H18N6)(OAc)2+] ions surrounding an inversion center on which lies a Eu(III) cation. These two images correspond to isomers with λλ and δδ conformations of their N-CH2-CH2-N moieties. The ten-coordinate europium(III) cation has a staggered 2:6:2 coordination geometry, with six equatorial Eu-N bonds to the hexadentate macrocyclic ligand and two quasi-axial Eu-O bonds to each of the two bidentate acetate ligands. Further manifestations of disorder occur for the acetate ligands and for H2O/Cl- sites in the crystal lattice.

AB - The title compound crystallizes in the centrosymmetric triclinic space group P1̄ (No. 2) with a = 8.7080(18)Å, b = 9.2777(14)Å, c = 10.2707(22)Å, α = 77.762(14)°, β = 77.482(17)°, γ = 84.735(15)°, V = 790.7(3)Å3 and Z= 1. The structure was solved and refined to R = 2.37% and wR = 3.19% for all 2073 independent reflections. The structure is disordered, with overlapping images of two enantiomeric [Eu(C18H18N6)(OAc)2+] ions surrounding an inversion center on which lies a Eu(III) cation. These two images correspond to isomers with λλ and δδ conformations of their N-CH2-CH2-N moieties. The ten-coordinate europium(III) cation has a staggered 2:6:2 coordination geometry, with six equatorial Eu-N bonds to the hexadentate macrocyclic ligand and two quasi-axial Eu-O bonds to each of the two bidentate acetate ligands. Further manifestations of disorder occur for the acetate ligands and for H2O/Cl- sites in the crystal lattice.

KW - Crystal structure

KW - Disorder

KW - Europium(III)

KW - Macrocyclic CHN ligand

KW - Schiff base

KW - Ten-coordination

UR - https://www.scopus.com/pages/publications/0000007283

U2 - 10.1080/00958970008054939

DO - 10.1080/00958970008054939

M3 - Article

AN - SCOPUS:0000007283

SN - 0095-8972

VL - 50

SP - 339

EP - 352

JO - Journal of Coordination Chemistry

JF - Journal of Coordination Chemistry

IS - 3-4

ER -

Churchill MR, Lake CH, Buttrey LA, Morrow JR. Synthesis and crystallographic characterization of [Eu(C₁₈H₁₈N₆)(OAc)₂ ⁺][Cl^-] ̇ 7H₂O, a ten-coordinate Eu(III) complex with a close-to-planar hexadentate C₁₈H₁₈N6 ligand: An interesting case of a structure with multiple disorder problems. Journal of Coordination Chemistry. 2000;50(3-4):339-352. doi: 10.1080/00958970008054939