Triaqua[2,2′-(propane-1,3-diyl)bis(5-carboxy-1H-imidazole-4-carboxylato-κ(2) N (3),O (4))]calcium(II) tetrahydrate

In the title compound, [Ca(C(13)H(10)N(4)O(8))(H(2)O)(3)]·4H(2)O, the Ca(II) ion is hepta-coordinated by two N atoms and two O atoms from a tetra­dentate 1,3-bis-(1H-imidazole-4,5-dicarb­oxy­l­ate) propane dianion and three water O atoms, giving a distorted penta­gonal–bipyramidal coordination envir...

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Detalles Bibliográficos
Autores principales: Du, Ling-Zhi, Li, Xia
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Metal-Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3435615/
https://www.ncbi.nlm.nih.gov/pubmed/22969488
http://dx.doi.org/10.1107/S1600536812035544
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author Du, Ling-Zhi
Li, Xia
author_facet Du, Ling-Zhi
Li, Xia
author_sort Du, Ling-Zhi
collection PubMed
description In the title compound, [Ca(C(13)H(10)N(4)O(8))(H(2)O)(3)]·4H(2)O, the Ca(II) ion is hepta-coordinated by two N atoms and two O atoms from a tetra­dentate 1,3-bis-(1H-imidazole-4,5-dicarb­oxy­l­ate) propane dianion and three water O atoms, giving a distorted penta­gonal–bipyramidal coordination environment. The Ca—O bond lengths are in the range 2.354 (3)–2.453 (2) Å, while the Ca—N bond lengths are in the range 2.523 (2)–2.548 (2) Å. An intra­molecular O—H⋯O hydrogen bond between the carb­oxy and carboxyl­ate groups stabilizes the mol­ecular configuration. A three-dimensional network of N—H⋯O and O—H⋯O hydrogen bonds help to stabilize the crystal packing.
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spelling pubmed-34356152012-09-11 Triaqua[2,2′-(propane-1,3-diyl)bis(5-carboxy-1H-imidazole-4-carboxylato-κ(2) N (3),O (4))]calcium(II) tetrahydrate Du, Ling-Zhi Li, Xia Acta Crystallogr Sect E Struct Rep Online Metal-Organic Papers In the title compound, [Ca(C(13)H(10)N(4)O(8))(H(2)O)(3)]·4H(2)O, the Ca(II) ion is hepta-coordinated by two N atoms and two O atoms from a tetra­dentate 1,3-bis-(1H-imidazole-4,5-dicarb­oxy­l­ate) propane dianion and three water O atoms, giving a distorted penta­gonal–bipyramidal coordination environment. The Ca—O bond lengths are in the range 2.354 (3)–2.453 (2) Å, while the Ca—N bond lengths are in the range 2.523 (2)–2.548 (2) Å. An intra­molecular O—H⋯O hydrogen bond between the carb­oxy and carboxyl­ate groups stabilizes the mol­ecular configuration. A three-dimensional network of N—H⋯O and O—H⋯O hydrogen bonds help to stabilize the crystal packing. International Union of Crystallography 2012-08-23 /pmc/articles/PMC3435615/ /pubmed/22969488 http://dx.doi.org/10.1107/S1600536812035544 Text en © Du and Li 2012 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
Du, Ling-Zhi
Li, Xia
Triaqua[2,2′-(propane-1,3-diyl)bis(5-carboxy-1H-imidazole-4-carboxylato-κ(2) N (3),O (4))]calcium(II) tetrahydrate
title Triaqua[2,2′-(propane-1,3-diyl)bis(5-carboxy-1H-imidazole-4-carboxylato-κ(2) N (3),O (4))]calcium(II) tetrahydrate
title_full Triaqua[2,2′-(propane-1,3-diyl)bis(5-carboxy-1H-imidazole-4-carboxylato-κ(2) N (3),O (4))]calcium(II) tetrahydrate
title_fullStr Triaqua[2,2′-(propane-1,3-diyl)bis(5-carboxy-1H-imidazole-4-carboxylato-κ(2) N (3),O (4))]calcium(II) tetrahydrate
title_full_unstemmed Triaqua[2,2′-(propane-1,3-diyl)bis(5-carboxy-1H-imidazole-4-carboxylato-κ(2) N (3),O (4))]calcium(II) tetrahydrate
title_short Triaqua[2,2′-(propane-1,3-diyl)bis(5-carboxy-1H-imidazole-4-carboxylato-κ(2) N (3),O (4))]calcium(II) tetrahydrate
title_sort triaqua[2,2′-(propane-1,3-diyl)bis(5-carboxy-1h-imidazole-4-carboxylato-κ(2) n (3),o (4))]calcium(ii) tetrahydrate
topic Metal-Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3435615/
https://www.ncbi.nlm.nih.gov/pubmed/22969488
http://dx.doi.org/10.1107/S1600536812035544
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AT lixia triaqua22propane13diylbis5carboxy1himidazole4carboxylatok2n3o4calciumiitetrahydrate

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