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Crystal structure of aqua-tris-{?-N-[bis(diethyl-amino)phosphoryl]-2,2,2-tri-chloroacetamidato-?³O,O':O}calciumsodium.

ABSTRACT: In the mol-ecular structure of the title compound, [CaNa(C₁₀H₂₀Cl₃N₃O₂P)₃(H₂O)], the Ca²⁺ ion has a slightly distorted octa-hedral coordination environment defined by six O atoms which belong to the carbonyl and phosphoryl groups of the three coordinating ligands. Two Cl atoms of CCl₃ groups and four O atoms form the coordination environment of the Na⁺ ion: three from the carbonyl groups of ligands and one O atom from a coordinating water mol-ecule. In the crystal, the bimetallic complexes are assembled into chains along the c-axis direction via O-H?O hydrogen bonds that involve the coordinating water mol-ecules and the phosphoryl groups.

SUBMITTER: Shatrava I

PROVIDER: S-EPMC5137587 | biostudies-literature | 2016 Dec

REPOSITORIES: biostudies-literature

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Crystal structure of aqua-tris-{μ-N-[bis(diethyl-amino)phosphoryl]-2,2,2-tri-chloroacetamidato-κ3O,O':O}calciumsodium.

Shatrava Iuliia I Gubina Kateryna K Ovchynnikov Vladimir V Dyakonenko Viktoriya V Amirkhanov Vladimir V

Acta crystallographica. Section E, Crystallographic communications 20161101 Pt 12

In the mol-ecular structure of the title compound, [CaNa(C10H20Cl3N3O2P)3(H2O)], the Ca2+ ion has a slightly distorted octa-hedral coordination environment defined by six O atoms which belong to the carbonyl and phosphoryl groups of the three coordinating ligands. Two Cl atoms of CCl3 groups and four O atoms form the coordination environment of the Na+ ion: three from the carbonyl groups ...[more]

PMID: 27980809

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