The crystal structure of species Pr(NO3)3·2TBMA (TBMA=N,N,N′,N′-tetrabutyl malonamide) has been determined by X-ray diffraction. The compound crystallizes in the triclinic system, P1 space group, a=1.318 5(18) ...The crystal structure of species Pr(NO3)3·2TBMA (TBMA=N,N,N′,N′-tetrabutyl malonamide) has been determined by X-ray diffraction. The compound crystallizes in the triclinic system, P1 space group, a=1.318 5(18) nm, b=1.449(2) nm, c=1.494(2) nm, α=70.03(2)°, β=71.53(2)°, γ=83.75(2)°, V=2.546(6) nm3, Z=2, Mr=979.97, Dc=1.278 g·cm-3, F(000)=1 032, R1=0.054 7. In each molecule, the metal ion is 10-coordinate, being bonded to two nearly coplanar bidentate TBMA ligands and three bidentate nitrate ions, two of them located on each side of the plane defined by the TBMA ligands and the third one crossing the plane. The geometry can be best described in terms of pentagonal bipyramid with each bidentate nitrate occupying one site. The two coordinated C=O groups in TBMA are not parallel, the O(1)-C(1)...C(3)-O(2) and O(3)-C(20)...C(22)-O(4) torsion angles are 129.73° and -48.43° respectively. The absorption bands belonging to the coordinated carbonyl vibration split into two peaks at 1 577.96 and 1 608.43 cm-1 respectively, which is caused by the different environment. The thermal decomposition of the complex is in three steps. CCDC: 231276.展开更多
文摘The crystal structure of species Pr(NO3)3·2TBMA (TBMA=N,N,N′,N′-tetrabutyl malonamide) has been determined by X-ray diffraction. The compound crystallizes in the triclinic system, P1 space group, a=1.318 5(18) nm, b=1.449(2) nm, c=1.494(2) nm, α=70.03(2)°, β=71.53(2)°, γ=83.75(2)°, V=2.546(6) nm3, Z=2, Mr=979.97, Dc=1.278 g·cm-3, F(000)=1 032, R1=0.054 7. In each molecule, the metal ion is 10-coordinate, being bonded to two nearly coplanar bidentate TBMA ligands and three bidentate nitrate ions, two of them located on each side of the plane defined by the TBMA ligands and the third one crossing the plane. The geometry can be best described in terms of pentagonal bipyramid with each bidentate nitrate occupying one site. The two coordinated C=O groups in TBMA are not parallel, the O(1)-C(1)...C(3)-O(2) and O(3)-C(20)...C(22)-O(4) torsion angles are 129.73° and -48.43° respectively. The absorption bands belonging to the coordinated carbonyl vibration split into two peaks at 1 577.96 and 1 608.43 cm-1 respectively, which is caused by the different environment. The thermal decomposition of the complex is in three steps. CCDC: 231276.
