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Di-μ-nitrato-bis(μ-octaethyl pyrophosphoramide)bis[aquadinitratocalcium(II)]
The title compound, di-μ-nitrato-κ(3) O,O′:O;O:O,O′-bis(μ-octaethyl pyrophosphoramide-κ(2) O:O′)bis[aquabis(nitrato-κ(2) O,O′)calcium(II)], [Ca(2)(NO(3))(4)(C(16)H(40)N(4)O(3)P(2))(2)(H(2)O)(2)] was obtained as a side product during the work up of the synthesis of octaethyl pyrophosphoram...
Autores principales: | , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2021
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8340971/ https://www.ncbi.nlm.nih.gov/pubmed/34422303 http://dx.doi.org/10.1107/S205698902100699X |
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author | Micallef, Duncan Baisch, Ulrich |
author_facet | Micallef, Duncan Baisch, Ulrich |
author_sort | Micallef, Duncan |
collection | PubMed |
description | The title compound, di-μ-nitrato-κ(3) O,O′:O;O:O,O′-bis(μ-octaethyl pyrophosphoramide-κ(2) O:O′)bis[aquabis(nitrato-κ(2) O,O′)calcium(II)], [Ca(2)(NO(3))(4)(C(16)H(40)N(4)O(3)P(2))(2)(H(2)O)(2)] was obtained as a side product during the work up of the synthesis of octaethyl pyrophosphoramide and represents the first structurally characterized complex of this ligand. The compound crystallizes in the monoclinic space group P2(1)/n and the asymmetric unit contains one pyrophosphoramide molecule and one Ca(2+) ion coordinated to two nitrate ions and one water molecule. The complex exists as a dimer with a centre of inversion located between two eight-coordinate calcium(II) centres, which are bridged by two nitrate ions and two octaethyl pyrophosphoramide ligands. Each Ca(2+) cation is also coordinated to a further nitrate anion, acting as a bidentate ligand, and a water molecule. The complexes stack parallel to the a axis and are held in place by a network of intermolecular O—H⋯O hydrogen bonds also running parallel to a. |
format | Online Article Text |
id | pubmed-8340971 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2021 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-83409712021-08-19 Di-μ-nitrato-bis(μ-octaethyl pyrophosphoramide)bis[aquadinitratocalcium(II)] Micallef, Duncan Baisch, Ulrich Acta Crystallogr E Crystallogr Commun Research Communications The title compound, di-μ-nitrato-κ(3) O,O′:O;O:O,O′-bis(μ-octaethyl pyrophosphoramide-κ(2) O:O′)bis[aquabis(nitrato-κ(2) O,O′)calcium(II)], [Ca(2)(NO(3))(4)(C(16)H(40)N(4)O(3)P(2))(2)(H(2)O)(2)] was obtained as a side product during the work up of the synthesis of octaethyl pyrophosphoramide and represents the first structurally characterized complex of this ligand. The compound crystallizes in the monoclinic space group P2(1)/n and the asymmetric unit contains one pyrophosphoramide molecule and one Ca(2+) ion coordinated to two nitrate ions and one water molecule. The complex exists as a dimer with a centre of inversion located between two eight-coordinate calcium(II) centres, which are bridged by two nitrate ions and two octaethyl pyrophosphoramide ligands. Each Ca(2+) cation is also coordinated to a further nitrate anion, acting as a bidentate ligand, and a water molecule. The complexes stack parallel to the a axis and are held in place by a network of intermolecular O—H⋯O hydrogen bonds also running parallel to a. International Union of Crystallography 2021-07-13 /pmc/articles/PMC8340971/ /pubmed/34422303 http://dx.doi.org/10.1107/S205698902100699X Text en © Micallef and Baisch 2021 https://creativecommons.org/licenses/by/4.0/This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited. |
spellingShingle | Research Communications Micallef, Duncan Baisch, Ulrich Di-μ-nitrato-bis(μ-octaethyl pyrophosphoramide)bis[aquadinitratocalcium(II)] |
title | Di-μ-nitrato-bis(μ-octaethyl pyrophosphoramide)bis[aquadinitratocalcium(II)] |
title_full | Di-μ-nitrato-bis(μ-octaethyl pyrophosphoramide)bis[aquadinitratocalcium(II)] |
title_fullStr | Di-μ-nitrato-bis(μ-octaethyl pyrophosphoramide)bis[aquadinitratocalcium(II)] |
title_full_unstemmed | Di-μ-nitrato-bis(μ-octaethyl pyrophosphoramide)bis[aquadinitratocalcium(II)] |
title_short | Di-μ-nitrato-bis(μ-octaethyl pyrophosphoramide)bis[aquadinitratocalcium(II)] |
title_sort | di-μ-nitrato-bis(μ-octaethyl pyrophosphoramide)bis[aquadinitratocalcium(ii)] |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8340971/ https://www.ncbi.nlm.nih.gov/pubmed/34422303 http://dx.doi.org/10.1107/S205698902100699X |
work_keys_str_mv | AT micallefduncan dimnitratobismoctaethylpyrophosphoramidebisaquadinitratocalciumii AT baischulrich dimnitratobismoctaethylpyrophosphoramidebisaquadinitratocalciumii |