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Tetrakis(μ-3-azaniumylbenzoato)-κ(3) O:O,O′;κ(3) O,O′:O;κ(4) O:O′-bis[tetraaquaneodymium(III)] hexachloride tetrahydrate
The structure of the title compound, [Nd(2)(C(7)H(7)NO(2))(4)(H(2)O)(8)]Cl(6)·4H(2)O, consists of dimeric cationic units related by an inversion centre. The two Nd(III) atoms are linked by two bridging bidentate carboxylate groups and two bidentate chelating bridging carboxylate groups, with an Nd...
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Formato: | Texto |
Lenguaje: | English |
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International Union of Crystallography
2011
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3089227/ https://www.ncbi.nlm.nih.gov/pubmed/21754308 http://dx.doi.org/10.1107/S1600536811012700 |
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author | Benslimane, Meriem Merazig, Hocine Daran, Jean-Claude |
author_facet | Benslimane, Meriem Merazig, Hocine Daran, Jean-Claude |
author_sort | Benslimane, Meriem |
collection | PubMed |
description | The structure of the title compound, [Nd(2)(C(7)H(7)NO(2))(4)(H(2)O)(8)]Cl(6)·4H(2)O, consists of dimeric cationic units related by an inversion centre. The two Nd(III) atoms are linked by two bridging bidentate carboxylate groups and two bidentate chelating bridging carboxylate groups, with an Nd⋯Nd separation of 4.1259 (4) Å. Each Nd(III) atom is nine-coordinated by five O atoms from the carboxylate groups of the zwitterionic azaniumylbenzoate ligands and four from water molecules. They adopt a distorted tricapped trigonal–prismatic arrangement. The dihedral angle between the mean planes of the benzene ring and the carboxlate groups are 7.7 (6) and 24.4 (5)°. The two carboxylate groups are almost perpendicular to one another with a dihedral angle of 84.0 (7)°, while the two benzene rings are inclined to one another by 81.8 (2)°. The molecular packing is stabilized by O—H(water)⋯Cl, O—H(water)⋯N, N—H⋯Cl, N—H⋯O, and O—H(water)⋯O hydrogen bonds and π–π stacking interactions [centroid–centroid distance = 3.500 (3) Å] between symmetry-related benzene rings. All of the Cl(−) anions and the uncoordinated water molecules are disordered over two sets of sites with different occupancy ratios. |
format | Text |
id | pubmed-3089227 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2011 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-30892272011-07-13 Tetrakis(μ-3-azaniumylbenzoato)-κ(3) O:O,O′;κ(3) O,O′:O;κ(4) O:O′-bis[tetraaquaneodymium(III)] hexachloride tetrahydrate Benslimane, Meriem Merazig, Hocine Daran, Jean-Claude Acta Crystallogr Sect E Struct Rep Online Metal-Organic Papers The structure of the title compound, [Nd(2)(C(7)H(7)NO(2))(4)(H(2)O)(8)]Cl(6)·4H(2)O, consists of dimeric cationic units related by an inversion centre. The two Nd(III) atoms are linked by two bridging bidentate carboxylate groups and two bidentate chelating bridging carboxylate groups, with an Nd⋯Nd separation of 4.1259 (4) Å. Each Nd(III) atom is nine-coordinated by five O atoms from the carboxylate groups of the zwitterionic azaniumylbenzoate ligands and four from water molecules. They adopt a distorted tricapped trigonal–prismatic arrangement. The dihedral angle between the mean planes of the benzene ring and the carboxlate groups are 7.7 (6) and 24.4 (5)°. The two carboxylate groups are almost perpendicular to one another with a dihedral angle of 84.0 (7)°, while the two benzene rings are inclined to one another by 81.8 (2)°. The molecular packing is stabilized by O—H(water)⋯Cl, O—H(water)⋯N, N—H⋯Cl, N—H⋯O, and O—H(water)⋯O hydrogen bonds and π–π stacking interactions [centroid–centroid distance = 3.500 (3) Å] between symmetry-related benzene rings. All of the Cl(−) anions and the uncoordinated water molecules are disordered over two sets of sites with different occupancy ratios. International Union of Crystallography 2011-04-13 /pmc/articles/PMC3089227/ /pubmed/21754308 http://dx.doi.org/10.1107/S1600536811012700 Text en © Benslimane et al. 2011 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited. |
spellingShingle | Metal-Organic Papers Benslimane, Meriem Merazig, Hocine Daran, Jean-Claude Tetrakis(μ-3-azaniumylbenzoato)-κ(3) O:O,O′;κ(3) O,O′:O;κ(4) O:O′-bis[tetraaquaneodymium(III)] hexachloride tetrahydrate |
title | Tetrakis(μ-3-azaniumylbenzoato)-κ(3)
O:O,O′;κ(3)
O,O′:O;κ(4)
O:O′-bis[tetraaquaneodymium(III)] hexachloride tetrahydrate |
title_full | Tetrakis(μ-3-azaniumylbenzoato)-κ(3)
O:O,O′;κ(3)
O,O′:O;κ(4)
O:O′-bis[tetraaquaneodymium(III)] hexachloride tetrahydrate |
title_fullStr | Tetrakis(μ-3-azaniumylbenzoato)-κ(3)
O:O,O′;κ(3)
O,O′:O;κ(4)
O:O′-bis[tetraaquaneodymium(III)] hexachloride tetrahydrate |
title_full_unstemmed | Tetrakis(μ-3-azaniumylbenzoato)-κ(3)
O:O,O′;κ(3)
O,O′:O;κ(4)
O:O′-bis[tetraaquaneodymium(III)] hexachloride tetrahydrate |
title_short | Tetrakis(μ-3-azaniumylbenzoato)-κ(3)
O:O,O′;κ(3)
O,O′:O;κ(4)
O:O′-bis[tetraaquaneodymium(III)] hexachloride tetrahydrate |
title_sort | tetrakis(μ-3-azaniumylbenzoato)-κ(3)
o:o,o′;κ(3)
o,o′:o;κ(4)
o:o′-bis[tetraaquaneodymium(iii)] hexachloride tetrahydrate |
topic | Metal-Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3089227/ https://www.ncbi.nlm.nih.gov/pubmed/21754308 http://dx.doi.org/10.1107/S1600536811012700 |
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