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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...

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Autores principales: Micallef, Duncan, Baisch, Ulrich
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2021
Materias:
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.
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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
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