Polymorphism of dinitro[tris(2-aminoethyl)amine]cobalt(III) chloride

Ilia A. Guzei; Charmaine Arderne

doi:10.1107/S205322961501270X

Polymorphism of dinitro[tris(2-aminoethyl)amine]cobalt(III) chloride

Ilia A. Guzei, Charmaine Arderne

Chemical Sciences

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

5 Citations (Scopus)

Abstract

Three polymorphs of bis(nitrito-κN)[tris(2-aminoethyl)amine-κ⁴ N,N′,N″,N″′]cobalt(III) chloride, [Co(NO₂)₂(C₆H₁₈N₄)]Cl, have been structurally characterized in the 100-300 K temperature range. Two orthorhombic polymorphs are related by a solid-state enantiotropic order-disorder k2 phase transition at ca 152 K. The third, monoclinic, polymorph crystallizes as a nonmerohedral twin. In the structure of the high-temperature (300 K) orthorhombic polymorph, the Co^III complex cation resides on a crystallographic mirror plane, whereas the Cl^- anion occupies a crystallographic twofold axis. In the unit cell of the monoclinic polymorph, the cationic Co^III complex is in a general position, whose charge is balanced by two halves of two Cl^- anions, each residing on a crystallographic twofold axis.

Original language	English
Pages (from-to)	695-700
Number of pages	6
Journal	Acta crystallographica. Section C, Structural chemistry
Volume	71
DOIs	https://doi.org/10.1107/S205322961501270X
Publication status	Published - 1 Aug 2015

Keywords

cobalt(III) complex
DFT calculations
disorder
polymorphism
single-crystal X-ray analysis
solid-state phase transition
tris(2-aminoethyl)amine
twinning

ASJC Scopus subject areas

Condensed Matter Physics
Physical and Theoretical Chemistry
Inorganic Chemistry
Materials Chemistry

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10.1107/S205322961501270X

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@article{8083b4cafb754278a69ece89278b3e0e,

title = "Polymorphism of dinitro[tris(2-aminoethyl)amine]cobalt(III) chloride",

abstract = "Three polymorphs of bis(nitrito-κN)[tris(2-aminoethyl)amine-κ4 N,N′,N″,N″′]cobalt(III) chloride, [Co(NO2)2(C6H18N4)]Cl, have been structurally characterized in the 100-300 K temperature range. Two orthorhombic polymorphs are related by a solid-state enantiotropic order-disorder k2 phase transition at ca 152 K. The third, monoclinic, polymorph crystallizes as a nonmerohedral twin. In the structure of the high-temperature (300 K) orthorhombic polymorph, the CoIII complex cation resides on a crystallographic mirror plane, whereas the Cl- anion occupies a crystallographic twofold axis. In the unit cell of the monoclinic polymorph, the cationic CoIII complex is in a general position, whose charge is balanced by two halves of two Cl- anions, each residing on a crystallographic twofold axis.",

keywords = "cobalt(III) complex, DFT calculations, disorder, polymorphism, single-crystal X-ray analysis, solid-state phase transition, tris(2-aminoethyl)amine, twinning",

author = "Guzei, \{Ilia A.\} and Charmaine Arderne",

note = "Publisher Copyright: {\textcopyright} 2015 International Union of Crystallography.",

year = "2015",

month = aug,

day = "1",

doi = "10.1107/S205322961501270X",

language = "English",

volume = "71",

pages = "695--700",

journal = "Acta crystallographica. Section C, Structural chemistry",

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publisher = "John Wiley \& Sons Inc.",

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TY - JOUR

T1 - Polymorphism of dinitro[tris(2-aminoethyl)amine]cobalt(III) chloride

AU - Guzei, Ilia A.

AU - Arderne, Charmaine

PY - 2015/8/1

Y1 - 2015/8/1

N2 - Three polymorphs of bis(nitrito-κN)[tris(2-aminoethyl)amine-κ4 N,N′,N″,N″′]cobalt(III) chloride, [Co(NO2)2(C6H18N4)]Cl, have been structurally characterized in the 100-300 K temperature range. Two orthorhombic polymorphs are related by a solid-state enantiotropic order-disorder k2 phase transition at ca 152 K. The third, monoclinic, polymorph crystallizes as a nonmerohedral twin. In the structure of the high-temperature (300 K) orthorhombic polymorph, the CoIII complex cation resides on a crystallographic mirror plane, whereas the Cl- anion occupies a crystallographic twofold axis. In the unit cell of the monoclinic polymorph, the cationic CoIII complex is in a general position, whose charge is balanced by two halves of two Cl- anions, each residing on a crystallographic twofold axis.

AB - Three polymorphs of bis(nitrito-κN)[tris(2-aminoethyl)amine-κ4 N,N′,N″,N″′]cobalt(III) chloride, [Co(NO2)2(C6H18N4)]Cl, have been structurally characterized in the 100-300 K temperature range. Two orthorhombic polymorphs are related by a solid-state enantiotropic order-disorder k2 phase transition at ca 152 K. The third, monoclinic, polymorph crystallizes as a nonmerohedral twin. In the structure of the high-temperature (300 K) orthorhombic polymorph, the CoIII complex cation resides on a crystallographic mirror plane, whereas the Cl- anion occupies a crystallographic twofold axis. In the unit cell of the monoclinic polymorph, the cationic CoIII complex is in a general position, whose charge is balanced by two halves of two Cl- anions, each residing on a crystallographic twofold axis.

KW - cobalt(III) complex

KW - DFT calculations

KW - disorder

KW - polymorphism

KW - single-crystal X-ray analysis

KW - solid-state phase transition

KW - tris(2-aminoethyl)amine

KW - twinning

UR - https://www.scopus.com/pages/publications/84952769515

U2 - 10.1107/S205322961501270X

DO - 10.1107/S205322961501270X

M3 - Article

C2 - 26243417

AN - SCOPUS:84952769515

SN - 2053-2296

VL - 71

SP - 695

EP - 700

JO - Acta crystallographica. Section C, Structural chemistry

JF - Acta crystallographica. Section C, Structural chemistry

ER -

Polymorphism of dinitro[tris(2-aminoethyl)amine]cobalt(III) chloride

Abstract

Keywords

ASJC Scopus subject areas

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