The reaction of HoCl3·6H2O with 2,2,2-trichloro-N-(dimorpholinophosphoryl)acetamide (carbacylamidophosphate (CAPh) type ligand, C10Cl3H8N3O4P, HL) in acetone-isopropanolic solution produces the title coordination compound [Ho(HL)2(H2O)Cl3] (1). The complex with a low for lanthanides coordination number 6 crystallizes in the triclinic space group P $$\overline{1}$$. The unit cell parameters are a = 11.0587(11) A, b = 14.2224(12) A, c = 14.2520(11) A, α = 116.192(9)°, β = 104.170(8)°, γ = 91.342 (8)°, V = 1927.8(3) A3 and Z = 2. The HoIII 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(H2O)Cl3] molecules are linked via Owater–H⋯Omorpholine hydrogen bonds, forming chains along [100] crystallographic direction. These chains are bound into a three-dimensional framework due to the Cmorpholine–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. The X-ray structure of hexacoordinate holmium(III) complex with the carbacylamidophosphate (CAPh) ligand 2,2,2-trichloro-N-(dimorpholinophosphoryl)acetamide (CCl3C(O)N(H)P(O)[N(CH2)4O]2) is reported and compare with the similar complex structures. Hirshfeld surface analysis employed to identify intermolecular interactions within the structure.

中文翻译：

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八面体 Cl3O3 环境中的三价钬：2,2,2-三氯-N-（二吗啉代磷酰基）乙酰胺配位化合物的合成、晶体结构和 Hirshfeld 表面

HoCl3·6H2O 与 2,2,2-三氯-N-（二吗啉代磷酰基）乙酰胺（碳酰氨基磷酸酯 (CAPh) 型配体，C10Cl3H8N3O4P，HL）在丙酮-异丙醇溶液中反应生成标题配位化合物 [Ho(HL)2( H2O)Cl3] (1). 镧系元素配位数为 6 的配合物在三斜空间群 P$$\overline{1}$$ 中结晶。晶胞参数为 a = 11.0587(11) A, b = 14.2224(12) A, c = 14.2520(11) A, α = 116.192(9)°, β = 104.170(8)°, γ = 91.342 (8) )°，V = 1927.8(3) A3 和 Z = 2。HoIII 离子由三个氯离子、两个 CAPh 配体磷酰基的 O 原子和水分子的一个 O 原子八面体配位。[Ho(HL)2(H2O)Cl3]分子通过Owater-H⋯O吗啉氢键连接，沿[100]结晶方向形成链。由于 Cmorpholine-H⋯Cl 分子间氢键，这些链结合成三维框架。Hirshfeld 表面分析和二维指纹图已用于识别晶体中存在的分子间相互作用。六配位钬 (III) 与碳酰氨基磷酸盐 (CAPh) 配体 2,2,2-三氯-N-(二吗啉代磷酰基)乙酰胺 (CCl3C(O)N(H)P(O)[N(CH2) 的 X 射线结构)4O]2) 并与类似的复杂结构进行比较。Hirshfeld 表面分析用于识别结构内的分子间相互作用。六配位钬 (III) 与碳酰氨基磷酸盐 (CAPh) 配体 2,2,2-三氯-N-(二吗啉代磷酰基)乙酰胺 (CCl3C(O)N(H)P(O)[N(CH2) 的 X 射线结构)4O]2) 并与类似的复杂结构进行比较。Hirshfeld 表面分析用于识别结构内的分子间相互作用。六配位钬 (III) 与碳酰氨基磷酸盐 (CAPh) 配体 2,2,2-三氯-N-(二吗啉代磷酰基)乙酰胺 (CCl3C(O)N(H)P(O)[N(CH2) 的 X 射线结构)4O]2) 并与类似的复杂结构进行比较。Hirshfeld 表面分析用于识别结构内的分子间相互作用。