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Trivalent Holmium in an Octahedral Cl3O3 Environment: Synthesis, Crystal Structure and Hirshfeld Surfaces of Coordination Compound with 2,2,2-Trichloro-N-(dimorpholinophosphoryl)acetamide

The reaction of HoCl 3 ·6H 2 O with 2,2,2-trichloro- N -(dimorpholinophosphoryl)acetamide (carbacylamidophosphate (CAPh) type ligand, C 10 Cl 3 H 8 N 3 O 4 P, HL) in acetone-isopropanolic solution produces the title coordination compound [Ho(HL) 2 (H 2 O)Cl 3 ] ( 1 ). The complex with a low for lant...

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Bibliographic Details
Published in:Journal of chemical crystallography 2021-03, Vol.51 (1), p.88-97
Main Authors: Litsis, Olena O., Ovchynnikov, Vladimir A., Dyakonenko, Viktoriya V., Sliva, Tatiana Yu, Shishkina, Svitlana V., Amirkhanov, Vladimir M.
Format: Article
Language:English
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Summary:The reaction of HoCl 3 ·6H 2 O with 2,2,2-trichloro- N -(dimorpholinophosphoryl)acetamide (carbacylamidophosphate (CAPh) type ligand, C 10 Cl 3 H 8 N 3 O 4 P, HL) in acetone-isopropanolic solution produces the title coordination compound [Ho(HL) 2 (H 2 O)Cl 3 ] ( 1 ). The complex with a low for lanthanides coordination number 6 crystallizes in the triclinic space group P 1 ¯ . The unit cell parameters are a = 11.0587(11) Å, b = 14.2224(12) Å, c = 14.2520(11) Å, α = 116.192(9)°, β = 104.170(8)°, γ = 91.342 (8)°, V = 1927.8(3) Å 3 and Z = 2. The Ho III ion is octahedrally coordinated by three chlorine ions, two O atoms of CAPh ligands phosphoryl groups and one O atom of water molecule. The [Ho(HL) 2 (H 2 O)Cl 3 ] molecules are linked via O water –H⋯O morpholine hydrogen bonds, forming chains along [100] crystallographic direction. These chains are bound into a three-dimensional framework due to the C morpholine –H⋯Cl intermolecular hydrogen bonds. Hirshfeld surface analysis and two-dimensional fingerprint plots have been used to identify the intermolecular interactions presented in the crystal. Graphic Abstract The X-ray structure of hexacoordinate holmium(III) complex with the carbacylamidophosphate (CAPh) ligand 2,2,2-trichloro- N -(dimorpholinophosphoryl)acetamide (CCl 3 C(O)N(H)P(O)[N(CH 2 ) 4 O] 2 ) is reported and compare with the similar complex structures. Hirshfeld surface analysis employed to identify intermolecular interactions within the structure.
ISSN:1074-1542
1572-8854
DOI:10.1007/s10870-020-00823-8