Crystal structure of tetra-phenyl phosphate tetra-kis-[dimethyl (2,2,2-tri-chloro-acet-yl)phos-pho-ramidato]lutetium(III), PPh[Lu].

A lutetium(III) complex based on the anion of the ligand dimethyl (2,2,2-tri-chloro-acet-yl)phospho-ramidate (H) and tetra-phenylphosphonium, of composition PPh[Lu ] ( = CAPh = carbacyl-amido-phosphate), or (CH)[Lu(CHClNOP)], has been synthesized and structurally characterized. The X-ray diffraction study of the compound revealed that the lutetium ion is surrounded by four bis-chelating CAPh ligands, forming the complex anion [Lu ] with a coordination number of 8[O] for Lu, while PPh serves as a counter-ion. The coordination geometry around the Lu ion was determined to be a nearly perfect triangular dodeca-hedron.

Synthesis, crystal structure and Hirshfeld surface analysis of the tetra-kis complex NaNdPyr(-PrOH)·-PrOH with a carbacyl-amido-phosphate of the amide type.

The tetra-kis complex of neodymium(III), tetra-kis-{μ--[bis-(pyrrolidin-1-yl)phos-phor-yl]acet-am-id-ato}bis(pro-pan-2-ol)neodymiumsodium pro-pan-2-ol monosol-vate, [NaNd(CHClNO)(CHO)]·CHO or NaNdPyr(-PrOH)·-PrOH, with the amide type CAPh ligand bis(,-tetra-methylene)(tri-chloro-acetyl)phos-phoric acid tri-amide (HPyr), has been synthesized, crystallized and characterized by X-ray diffraction. The complex does not have the tetra-kis-(CAPh)lanthanide anion, which is typical for ester-type CAPh-based coordin-ation compounds. Instead, the NdO polyhedron is formed by one oxygen atom of a 2-propanol mol-ecule and seven oxygen atoms of CAPh ligands in the title compound.

Crystal structure of bis-{3-(3,4-di-meth-oxy-phen-yl)-5-[6-(pyrazol-1-yl)pyridin-2-yl]-1,2,4-triazol-3-ato}iron(II)-methanol-chloro-form (1/2/2).

The unit cell of the title compound, [Fe(CHNO)]·2CHOH·2CHCl, consists of a charge-neutral complex mol-ecule, two methanol and two chloro-form mol-ecules. In the complex, the two tridentate 2-(5-(3,4-di-meth-oxy-phen-yl)-1,2,4-triazol-3-yl)-6-(pyrazol-1-yl)pyridine ligands coordinate to the central Fe ion through the N atoms of the pyrazole, pyridine and triazole groups, forming a pseudo-octa-hedral coordination sphere. Neighbouring tapered mol-ecules are linked through weak C-H(pz)⋯π(ph) inter-actions into one-dimensional chains, which are joined into two-dimensional layers through weak C-H⋯N/C/O inter-actions.

Eu and Tb coordination compounds with phenyl-containing carbacylamidophosphates: comparison with selected Ln β-diketonates.

Materials based on Eu and Tb coordination compounds are of great interest due to their strong red and green luminescence. Appropriate selection of ligands plays a huge role in optimizing their photophysical properties. Another very helpful instrument for such optimization is theoretical modelling, which permits the prediction of the emissive properties of materials through intramolecular energy transfer analysis.

Order-Disorder, Symmetry Breaking, and Crystallographic Phase Transition in a Series of Bis(-thiocyanate)iron(II) Spin Crossover Complexes Based on Tetradentate Ligands Containing 1,2,3-Triazoles.

We report herein a series of neutral -thiocyanate mononuclear spin crossover (SCO) complexes, [FeL(NCS)] (-), based on tetradentate ligands L obtained by reaction of N-substituted 1,2,3-triazolecarbaldehyde with 1,3-propanediamine or 2,2-dimethyl-1,3-diaminopropane [L = ,-bis((1,5-dimethyl-1-1,2,3-triazol-4-yl)methylene)propane-1,3-diamine/-2,2-dimethylpropane-1,3-diamine, / and ,-bis((1-ethyl/1-propyl-1-1,2,3-triazol-4-yl)methylene)-2,2-dimethylpropane-1,3-diamine, /]. The thermal-induced SCO behavior is characterized by abrupt transitions with an average critical temperature (Δ)/hysteresis loop width (Δ) in the range 190-252/5-14 K, while the photo-generated metastable high-spin (HS) phases are characterized by temperatures in the range 44-59 K. Single crystal analysis shows that except , all compounds experience reversible symmetry breaking coupled with the thermal SCO.