AbstractA mixed ligand neodymium complex containing 1‐phenyl‐3‐methyl‐4‐trifluoroacetyl‐pyrazol‐5‐one (HPMTFP) and 1‐phenyl‐3‐methyl‐pyrazol‐5‐one (PMP), with molecular formula Nd (PMTFP)3·PMP·H2O was synthesized. Its crystal and molecular structure has been determined by single crystal X‐ray diffraction method. The complex crystallizes in monoclinic system with space groupC52‐P21/n. There are four formula units in a cell of dimensionsa= 12.837(3),b= 23.763(5),c= 16.810(4) Å, β = 109.58(2)°. The structure has been refined by full‐matrix least‐squares techniques to a finalRvalue of 0.0487 andRwvalue of 0.432. The neodymium atom is coordinated to eight oxygen atoms with the average Nd—O bond length 2.439Å. Its thermostabi