Compilation of available experimental fusion temperatures and enthalpies for tris(β-diketonato)iron(iii) complexes^a.

Complex	T fus/K	/kJ mol−1	b/kJ mol−1
1	2	3	4
Fe(acac)3	454	(25.9 ± 0.5)26	20.5 ± 3.3
	461	34.1 ± 0.9 44
	462	(22.6 ± 0.5)56
	460	(25.3 ± 1.0)57
	459	30.1 ± 0.5 57
	459c	31.0 ± 0.9d
Fe(Meacac)3	461	31.8 ± 3.0e	19.7 ± 4.7
Fe(tfac)3	389	38.0 ± 5.5f	31.2 ± 5.4g
Fe(hfac)3	329	31.3 ± 3.6f	28.5 ± 3.5g
Fe(ba)3	496	34.2 ± 3.0e	17.4 ± 5.9
Fe(dbm)3	539	37.3 ± 3.0e	12.2 ± 8.1
Fe(thd)3	438	30.8 ± 5.9f	14.6 ± 3.4g

^aUncertainties in this table are expressed as expanded uncertainties at a level of confidence of 0.95 (k = 2). Complete compilation of melting temperatures for tris(β-diketonato)iron(iii) complexes available in the literature is given in Table S2.

^bThe enthalpies of fusion, at T_fus were adjusted to 298.15 K (see eqn (6)). Uncertainties in the temperature adjustment of fusion enthalpies from T_fus to the reference temperature are estimated to account with 30% to the total adjustment.⁵⁸

^cAverage value.

^dWeighted mean value. We used the experimental uncertainty as the weighing factor. Values in parenthesis were excluded from the calculation of the mean.

^eCalculated by the multiplication of the fusion temperature T_fus with the Walden constant of 69 ± 2 J K⁻¹ mol⁻¹ (see Table 4) with uncertainty assessed to be ±3.0 kJ mol⁻¹.

^fThe enthalpies of fusion, at 298.15 K derived as the difference between experimental sublimation and vaporization enthalpies (see Table 1, column 5, values in bold) were adjusted to T_fus. Uncertainties in the temperature adjustment of fusion enthalpies from the reference temperature to T_fus are estimated to account with 30% to the total adjustment.⁵⁸

^gThe enthalpies of fusion, at 298.15 K were calculated as the differences (see eqn (7)) taken from Table 1 (column 5, values in bold).