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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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Autores principales: Benslimane, Meriem, Merazig, Hocine, Daran, Jean-Claude
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
Materias:
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.
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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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AT daranjeanclaude tetrakism3azaniumylbenzoatok3oook3oook4oobistetraaquaneodymiumiiihexachloridetetrahydrate