Redetermination of the crystal structure of bis(tri-2-pyridylamine)iron(II) bis(perchlorate), and a new refinement of the isotypic nickel(II) analogue: treatment of the perchlorate anion disorder

Zouaoui Setifi; Fatima Setifi; Necmi Dege; Rafika El Ati; Christopher Glidewell

doi:10.1107/S2056989018005601

Redetermination of the crystal structure of bis(tri-2-pyridylamine)iron(II) bis(perchlorate), and a new refinement of the isotypic nickel(II) analogue: treatment of the perchlorate anion disorder

Zouaoui Setifi, Fatima Setifi, Necmi Dege, Rafika El Ati, Christopher Glidewell

School of Chemistry

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

Abstract

The redetermination of the structure of the title compound, [Fe(C₁₅H₁₂N₄) ₂](ClO₄)₂, (I), confirms the structure previously reported [Kucharski it et al. (1978a). Aust. J. Chem. 31, 53-56], but models the perchlorate over four sets of atomic sites, rather than using just one set of sites as in the original report. The supramolecular assembly, not reported previously, takes the form of a complex three-dimensional framework built from C—H···O hydrogen bonds. The isotypic nickel(II) analogue, [Ni(C₁₅H₁₂N₄)₂](ClO₄)₂, (III), has been refined using the original data set [Wang it et al. (2011). Acta Cryst. E67, m78], again using a four-component disorder model for the anion, rather than a two-component model as in the original report, leading to more satisfactory Cl—O distances and O—Cl—O angles.

Original language	English
Pages (from-to)	668-672
Number of pages	5
Journal	Acta Crystallographica Section E Crystallographic Communications
Volume	74
Issue number	5
Early online date	17 Apr 2018
DOIs	https://doi.org/10.1107/S2056989018005601
Publication status	Published - May 2018

Keywords

Crystal structure
Polypyridyl complexes
Redetermination
Perchlorate anion disorder
Hydrogen bonding
Supramolecular assembly

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Redetermination of the crystal structure of bis(tri-2-pyridylamine)iron(II) bis(perchlorate), and a new refinement of the isotypic nickel(II) analogue (dataset)
Setifi, Z. (Creator), Setifi, F. (Creator), Dege, N. (Creator), El Ati, R. (Creator) & Glidewell, C. (Creator), Cambridge Crystallographic Data Centre, 10 Apr 2018
https://dx.doi.org/10.5517/ccdc.csd.cc1zmlbj and one more link, https://dx.doi.org/10.5517/ccdc.csd.cc1p7k5n (show fewer)
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Setifi, Z., Setifi, F., Dege, N., El Ati, R., & Glidewell, C. (2018). Redetermination of the crystal structure of bis(tri-2-pyridylamine)iron(II) bis(perchlorate), and a new refinement of the isotypic nickel(II) analogue: treatment of the perchlorate anion disorder. Acta Crystallographica Section E Crystallographic Communications, 74(5), 668-672. https://doi.org/10.1107/S2056989018005601

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title = "Redetermination of the crystal structure of bis(tri-2-pyridylamine)iron(II) bis(perchlorate), and a new refinement of the isotypic nickel(II) analogue: treatment of the perchlorate anion disorder",

abstract = "The redetermination of the structure of the title compound, [Fe(C15H12N4) 2](ClO4)2, (I), confirms the structure previously reported [Kucharski it et al. (1978a). Aust. J. Chem. 31, 53-56], but models the perchlorate over four sets of atomic sites, rather than using just one set of sites as in the original report. The supramolecular assembly, not reported previously, takes the form of a complex three-dimensional framework built from C—H···O hydrogen bonds. The isotypic nickel(II) analogue, [Ni(C15H12N4)2](ClO4)2, (III), has been refined using the original data set [Wang it et al. (2011). Acta Cryst. E67, m78], again using a four-component disorder model for the anion, rather than a two-component model as in the original report, leading to more satisfactory Cl—O distances and O—Cl—O angles.",

keywords = "Crystal structure, Polypyridyl complexes, Redetermination, Perchlorate anion disorder, Hydrogen bonding, Supramolecular assembly",

author = "Zouaoui Setifi and Fatima Setifi and Necmi Dege and {El Ati}, Rafika and Christopher Glidewell",

note = "The authors are indebted to the Algerian DG–RSDT (Direction G{\'e}n{\'e}rale de la Recherche Scientifique et du D{\'e}veloppement Technologique) and Universit{\'e} Ferhat Abbas S{\'e}tif 1 for financial support.",

year = "2018",

month = may,

doi = "10.1107/S2056989018005601",

language = "English",

volume = "74",

pages = "668--672",

journal = "Acta Crystallographica Section E Crystallographic Communications",

issn = "2056-9890",

publisher = "International Union of Crystallography",

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Setifi, Z, Setifi, F, Dege, N, El Ati, R & Glidewell, C 2018, 'Redetermination of the crystal structure of bis(tri-2-pyridylamine)iron(II) bis(perchlorate), and a new refinement of the isotypic nickel(II) analogue: treatment of the perchlorate anion disorder', Acta Crystallographica Section E Crystallographic Communications, vol. 74, no. 5, pp. 668-672. https://doi.org/10.1107/S2056989018005601

Redetermination of the crystal structure of bis(tri-2-pyridylamine)iron(II) bis(perchlorate), and a new refinement of the isotypic nickel(II) analogue: treatment of the perchlorate anion disorder. / Setifi, Zouaoui; Setifi, Fatima; Dege, Necmi et al.
In: Acta Crystallographica Section E Crystallographic Communications, Vol. 74, No. 5, 05.2018, p. 668-672.

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

TY - JOUR

T1 - Redetermination of the crystal structure of bis(tri-2-pyridylamine)iron(II) bis(perchlorate), and a new refinement of the isotypic nickel(II) analogue

T2 - treatment of the perchlorate anion disorder

AU - Setifi, Zouaoui

AU - Setifi, Fatima

AU - Dege, Necmi

AU - El Ati, Rafika

AU - Glidewell, Christopher

N1 - The authors are indebted to the Algerian DG–RSDT (Direction Générale de la Recherche Scientifique et du Développement Technologique) and Université Ferhat Abbas Sétif 1 for financial support.

PY - 2018/5

Y1 - 2018/5

N2 - The redetermination of the structure of the title compound, [Fe(C15H12N4) 2](ClO4)2, (I), confirms the structure previously reported [Kucharski it et al. (1978a). Aust. J. Chem. 31, 53-56], but models the perchlorate over four sets of atomic sites, rather than using just one set of sites as in the original report. The supramolecular assembly, not reported previously, takes the form of a complex three-dimensional framework built from C—H···O hydrogen bonds. The isotypic nickel(II) analogue, [Ni(C15H12N4)2](ClO4)2, (III), has been refined using the original data set [Wang it et al. (2011). Acta Cryst. E67, m78], again using a four-component disorder model for the anion, rather than a two-component model as in the original report, leading to more satisfactory Cl—O distances and O—Cl—O angles.

AB - The redetermination of the structure of the title compound, [Fe(C15H12N4) 2](ClO4)2, (I), confirms the structure previously reported [Kucharski it et al. (1978a). Aust. J. Chem. 31, 53-56], but models the perchlorate over four sets of atomic sites, rather than using just one set of sites as in the original report. The supramolecular assembly, not reported previously, takes the form of a complex three-dimensional framework built from C—H···O hydrogen bonds. The isotypic nickel(II) analogue, [Ni(C15H12N4)2](ClO4)2, (III), has been refined using the original data set [Wang it et al. (2011). Acta Cryst. E67, m78], again using a four-component disorder model for the anion, rather than a two-component model as in the original report, leading to more satisfactory Cl—O distances and O—Cl—O angles.

KW - Crystal structure

KW - Polypyridyl complexes

KW - Redetermination

KW - Perchlorate anion disorder

KW - Hydrogen bonding

KW - Supramolecular assembly

U2 - 10.1107/S2056989018005601

DO - 10.1107/S2056989018005601

M3 - Article

SN - 2056-9890

VL - 74

SP - 668

EP - 672

JO - Acta Crystallographica Section E Crystallographic Communications

JF - Acta Crystallographica Section E Crystallographic Communications

IS - 5

ER -

Setifi Z, Setifi F, Dege N, El Ati R, Glidewell C. Redetermination of the crystal structure of bis(tri-2-pyridylamine)iron(II) bis(perchlorate), and a new refinement of the isotypic nickel(II) analogue: treatment of the perchlorate anion disorder. Acta Crystallographica Section E Crystallographic Communications. 2018 May;74(5):668-672. Epub 2018 Apr 17. doi: 10.1107/S2056989018005601

Redetermination of the crystal structure of bis(tri-2-pyridylamine)iron(II) bis(perchlorate), and a new refinement of the isotypic nickel(II) analogue: treatment of the perchlorate anion disorder

Abstract

Keywords

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Redetermination of the crystal structure of bis(tri-2-pyridylamine)iron(II) bis(perchlorate), and a new refinement of the isotypic nickel(II) analogue (dataset)

Cite this