Experimental and Theoretical Studies on the Structure and Photoluminescent Properties of New Mononuclear and Homodinuclear Europium(III) β-Diketonate Complexes

Table 1

Crystal data and structure refinement for the mononuclear and the homodinuclear Eu³⁺ complexes.

Complex	Complex 1	Complex 2
Empirical formula	C42H22Cl4EuF9N2O6	C66H40Cl6Eu2F12N4O10
Formula weight	1115.38	1793.64
Temperature (K)	293(2)	293(2)
Wavelength (Å)	0.7107	0.7107
Crystal system	Triclinic	Triclinic
Space group	P-1	P-1
(Å)	13.246(5)	10.2575(11)
(Å)	18.252(7)	12.9224(15)
(Å)	21.081(8)	15.0618(16)
(°)	98.241(8)	72.179(6)
(°)	99.461(11)	80.460(6)
(°)	108.751(10)	84.813(6)
Volume (Å^3)	4654(3)	1872.7(4)
	4	1
Calculated density (g cm^−3)	1.592	1.590
Absorption coefficient (mm^−1)	1.659	1.958
(000)	2192	880
θ range for data collection	1.67–25.87°	1.44–25.80°
Index ranges	; ;	; ;
Reflections collected	20295	33633
Independent reflections	3654	4769
Completeness to 2θ = 51°	89%	98%
Refinement method	Full-matrix LS on	Full-matrix LS on
Data/restraints/parameters	16025/299/1181	7048/0/452
Goodness-of-fit on	0.978	0.980
Final R indices []	;	;
indices (all data)	;	;
Largest difference peak and hole	−1.801/1.623	−0.693/1.076