The triclinic form of di-μ-aqua-bis[diaquabis(thiocyanato-κN)iron(II)]–1,4-bis(4H-1,2,4-triazol-4-yl)benzene (1/3)

The triclinic form of di-μ-aqua-bis[diaquabis(thiocyanato-κN)iron(II)]–1,4-bis(4H-1,2,4-triazol-4-yl)benzene (1/3)

In the title compound, [Fe2(NCS)4(H2O)6]·3C10H8N6, the centrosymmetric dinuclear complex contains two FeII ions bridged by two aqua ligand O atoms, forming a four-membered ring. The slightly distorted octahedral coordination environment of the two FeII ions is completed by two monodenta...

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Main Authors: Pan Yang, Bin Ding, Gui-Xiang Du
Format: Article
Language:English
Published: International Union of Crystallography 2012-08-01
Series:Acta Crystallographica Section E
Online Access:http://scripts.iucr.org/cgi-bin/paper?S1600536812026141
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spelling doaj-0fe721a971eb4c2a98f6877ace1fa92d2020-11-24T21:32:46ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682012-08-01688m1038m103910.1107/S1600536812026141The triclinic form of di-μ-aqua-bis[diaquabis(thiocyanato-κN)iron(II)]–1,4-bis(4H-1,2,4-triazol-4-yl)benzene (1/3)Pan YangBin DingGui-Xiang DuIn the title compound, [Fe2(NCS)4(H2O)6]·3C10H8N6, the centrosymmetric dinuclear complex contains two FeII ions bridged by two aqua ligand O atoms, forming a four-membered ring. The slightly distorted octahedral coordination environment of the two FeII ions is completed by two monodentate aqua ligands and two thiocyanate ligands. One of the 1,4-bis(4H-1,2,4-triazol-4-yl)benzene molecules lies across an inversion center. In the crystal, O—H...N hydrogen bonds connect the components, forming a two-dimensional network parallel to (011). In addition, π–π stacking interactions involving the benzene and triazole rings, with centroid–centroid distances in the range 3.502 (5)—3.787 (6) Å, connect the two-dimensional hydrogen-bonded network into a three-dimensional network. http://scripts.iucr.org/cgi-bin/paper?S1600536812026141
collection DOAJ
language English
format Article
sources DOAJ
author Pan Yang
Bin Ding
Gui-Xiang Du
spellingShingle Pan Yang
Bin Ding
Gui-Xiang Du
The triclinic form of di-μ-aqua-bis[diaquabis(thiocyanato-κN)iron(II)]–1,4-bis(4H-1,2,4-triazol-4-yl)benzene (1/3)
Acta Crystallographica Section E
author_facet Pan Yang
Bin Ding
Gui-Xiang Du
author_sort Pan Yang
title The triclinic form of di-μ-aqua-bis[diaquabis(thiocyanato-κN)iron(II)]–1,4-bis(4H-1,2,4-triazol-4-yl)benzene (1/3)
title_short The triclinic form of di-μ-aqua-bis[diaquabis(thiocyanato-κN)iron(II)]–1,4-bis(4H-1,2,4-triazol-4-yl)benzene (1/3)
title_full The triclinic form of di-μ-aqua-bis[diaquabis(thiocyanato-κN)iron(II)]–1,4-bis(4H-1,2,4-triazol-4-yl)benzene (1/3)
title_fullStr The triclinic form of di-μ-aqua-bis[diaquabis(thiocyanato-κN)iron(II)]–1,4-bis(4H-1,2,4-triazol-4-yl)benzene (1/3)
title_full_unstemmed The triclinic form of di-μ-aqua-bis[diaquabis(thiocyanato-κN)iron(II)]–1,4-bis(4H-1,2,4-triazol-4-yl)benzene (1/3)
title_sort triclinic form of di-μ-aqua-bis[diaquabis(thiocyanato-κn)iron(ii)]–1,4-bis(4h-1,2,4-triazol-4-yl)benzene (1/3)
publisher International Union of Crystallography
series Acta Crystallographica Section E
issn 1600-5368
publishDate 2012-08-01
description In the title compound, [Fe2(NCS)4(H2O)6]·3C10H8N6, the centrosymmetric dinuclear complex contains two FeII ions bridged by two aqua ligand O atoms, forming a four-membered ring. The slightly distorted octahedral coordination environment of the two FeII ions is completed by two monodentate aqua ligands and two thiocyanate ligands. One of the 1,4-bis(4H-1,2,4-triazol-4-yl)benzene molecules lies across an inversion center. In the crystal, O—H...N hydrogen bonds connect the components, forming a two-dimensional network parallel to (011). In addition, π–π stacking interactions involving the benzene and triazole rings, with centroid–centroid distances in the range 3.502 (5)—3.787 (6) Å, connect the two-dimensional hydrogen-bonded network into a three-dimensional network.
url http://scripts.iucr.org/cgi-bin/paper?S1600536812026141
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