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Synthesis and Crystal Structure of [NdCl5(THF)]2-[HO-4,6-di-tBu-C6H2-2-CH2{CH(iPrNCHCHN)}]2+·THF
Authors:YAO Hai-Sheng  ZHANG Jin-Guo  XU Fan  SHEN Qi  ZHANG Yong
Abstract:The title complex 1·THF has been synthesized by the reaction of HO-4,6-di-tBu-C6H2-2-CH2{CH(iprNCHCHN)}]Cl with NdCl3 in a 2:1 molar ratio in THF, and characterized by single-crystal X-ray diffraction. It crystallizes in monoclinic, space group P21/c with a =9.6501(14), b = 16.393(2), c = 36.745(6) (A), β = 97.444(4)°, V = 5763.7(15)(A)3, Mr= 1124.69, Z =4, Dc= 1.296 g/cm3, μ(MoKa) = 1.175 mm-1, F(000) = 2348, the final R = 0.0729 and wR =0.1762 for 8735 observed reflections with I > 2σ(1). Complex 1 consists of an anion NdCl5(THF)]2- and two cations HO-4,6-di-tBu-C6H2-2-CH2{CH(iprNCHCHN)}]2+ to form a layer structure by the interconnection of anions and cations via hydrogen bonding. The central metal Nd in the anionic unit is coordinated by five Cl atoms and one oxygen atom from solvated THF molecule assuming a distorted octahedral geometry.
Keywords:organolanthanide  N-aryloxo imidazolium  crystal structure  hydrogen bonding  Crystal Structure  central  metal  unit  atoms  oxygen atom  molecule  geometry  form  layer structure  interconnection  anions  hydrogen bonding  final  space  group  characterized  diffraction  molar ratio  synthesized
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