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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: treatment of the perchlorate anion disorder

The redetermination of the structure of the title compound, [Fe(C(15)H(12)N(4))(2)](ClO(4))(2), (I), confirms the structure previously reported [Kucharski 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 a...

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Autores principales: Setifi, Zouaoui, Setifi, Fatima, Dege, Necmi, El Ati, Rafika, Glidewell, Christopher
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2018
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5947484/
https://www.ncbi.nlm.nih.gov/pubmed/29850088
http://dx.doi.org/10.1107/S2056989018005601
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author Setifi, Zouaoui
Setifi, Fatima
Dege, Necmi
El Ati, Rafika
Glidewell, Christopher
author_facet Setifi, Zouaoui
Setifi, Fatima
Dege, Necmi
El Ati, Rafika
Glidewell, Christopher
author_sort Setifi, Zouaoui
collection PubMed
description The redetermination of the structure of the title compound, [Fe(C(15)H(12)N(4))(2)](ClO(4))(2), (I), confirms the structure previously reported [Kucharski 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(C(15)H(12)N(4))(2)](ClO(4))(2), (III), has been refined using the original data set [Wang 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.
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spelling pubmed-59474842018-05-30 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 El Ati, Rafika Glidewell, Christopher Acta Crystallogr E Crystallogr Commun Research Communications The redetermination of the structure of the title compound, [Fe(C(15)H(12)N(4))(2)](ClO(4))(2), (I), confirms the structure previously reported [Kucharski 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(C(15)H(12)N(4))(2)](ClO(4))(2), (III), has been refined using the original data set [Wang 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. International Union of Crystallography 2018-04-17 /pmc/articles/PMC5947484/ /pubmed/29850088 http://dx.doi.org/10.1107/S2056989018005601 Text en © Setifi et al. 2018 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.http://creativecommons.org/licenses/by/2.0/uk/
spellingShingle Research Communications
Setifi, Zouaoui
Setifi, Fatima
Dege, Necmi
El Ati, Rafika
Glidewell, Christopher
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
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
title_full 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
title_fullStr 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
title_full_unstemmed 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
title_short 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
title_sort 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
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5947484/
https://www.ncbi.nlm.nih.gov/pubmed/29850088
http://dx.doi.org/10.1107/S2056989018005601
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