trans-Bis(N,N-diethylethylenediamine)nickel(II) dibromide
The structure of the title compound, [Ni(C6H16N2)2]Br2 or [Ni(Et2en)2]Br2 (Et2en is asymmetric N,N-diethylethylenediamine), containing an NiII atom (site symmetry overline{1}) in square-planar NiN4 coordination, is described and contrasted with related structures containing NiII in octahedral coordi...
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International Union of Crystallography
2011-01-01
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Series: | Acta Crystallographica Section E |
Online Access: | http://scripts.iucr.org/cgi-bin/paper?S1600536810050403 |
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doaj-607c418210d44fee857f7069cd50110a2020-11-25T01:58:58ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682011-01-01671m48m4910.1107/S1600536810050403trans-Bis(N,N-diethylethylenediamine)nickel(II) dibromideJames P. DonahueJoel T. MagueSkylar J. FerraraThe structure of the title compound, [Ni(C6H16N2)2]Br2 or [Ni(Et2en)2]Br2 (Et2en is asymmetric N,N-diethylethylenediamine), containing an NiII atom (site symmetry overline{1}) in square-planar NiN4 coordination, is described and contrasted with related structures containing NiII in octahedral coordination with axial X− ligands (X− = variable anions). The dialkylated N atom has an appreciably longer bond length to the NiII atom [1.9666 (13) Å] than does the unsubstituted N atom [1.9202 (14) Å]. The Ni—N bond lengths in [Ni(Et2en)2]Br2 are significantly shorter than corresponding values in tetragonally distorted [Ni(Et2en)2X2] compounds (X = −O2CCF3, OH2, or −NCS), which have a triplet ground state. The electronic configuration in these axially ligated [Ni(Et2en)2X2] compounds populates the metal-based dx2-y2 orbital, which is Ni—N antibonding in character. Each Et2en ligand in each [Ni(Et2en)2]2+ cation forms a pair of N—H...Br hydrogen bonds to the Br− anions, one above and below the NiN4 square plane. Thus, a ribbon of alternating Br− pairs and [Ni(Et2en)2]2+ cations that are canted at 65° relative to one another is formed by hydrogen bonds. http://scripts.iucr.org/cgi-bin/paper?S1600536810050403 |
collection |
DOAJ |
language |
English |
format |
Article |
sources |
DOAJ |
author |
James P. Donahue Joel T. Mague Skylar J. Ferrara |
spellingShingle |
James P. Donahue Joel T. Mague Skylar J. Ferrara trans-Bis(N,N-diethylethylenediamine)nickel(II) dibromide Acta Crystallographica Section E |
author_facet |
James P. Donahue Joel T. Mague Skylar J. Ferrara |
author_sort |
James P. Donahue |
title |
trans-Bis(N,N-diethylethylenediamine)nickel(II) dibromide |
title_short |
trans-Bis(N,N-diethylethylenediamine)nickel(II) dibromide |
title_full |
trans-Bis(N,N-diethylethylenediamine)nickel(II) dibromide |
title_fullStr |
trans-Bis(N,N-diethylethylenediamine)nickel(II) dibromide |
title_full_unstemmed |
trans-Bis(N,N-diethylethylenediamine)nickel(II) dibromide |
title_sort |
trans-bis(n,n-diethylethylenediamine)nickel(ii) dibromide |
publisher |
International Union of Crystallography |
series |
Acta Crystallographica Section E |
issn |
1600-5368 |
publishDate |
2011-01-01 |
description |
The structure of the title compound, [Ni(C6H16N2)2]Br2 or [Ni(Et2en)2]Br2 (Et2en is asymmetric N,N-diethylethylenediamine), containing an NiII atom (site symmetry overline{1}) in square-planar NiN4 coordination, is described and contrasted with related structures containing NiII in octahedral coordination with axial X− ligands (X− = variable anions). The dialkylated N atom has an appreciably longer bond length to the NiII atom [1.9666 (13) Å] than does the unsubstituted N atom [1.9202 (14) Å]. The Ni—N bond lengths in [Ni(Et2en)2]Br2 are significantly shorter than corresponding values in tetragonally distorted [Ni(Et2en)2X2] compounds (X = −O2CCF3, OH2, or −NCS), which have a triplet ground state. The electronic configuration in these axially ligated [Ni(Et2en)2X2] compounds populates the metal-based dx2-y2 orbital, which is Ni—N antibonding in character. Each Et2en ligand in each [Ni(Et2en)2]2+ cation forms a pair of N—H...Br hydrogen bonds to the Br− anions, one above and below the NiN4 square plane. Thus, a ribbon of alternating Br− pairs and [Ni(Et2en)2]2+ cations that are canted at 65° relative to one another is formed by hydrogen bonds. |
url |
http://scripts.iucr.org/cgi-bin/paper?S1600536810050403 |
work_keys_str_mv |
AT jamespdonahue transbisnndiethylethylenediaminenickeliidibromide AT joeltmague transbisnndiethylethylenediaminenickeliidibromide AT skylarjferrara transbisnndiethylethylenediaminenickeliidibromide |
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1724966898132582400 |