. 2015 Dec 14;55(1):272–282. doi: 10.1021/acs.inorgchem.5b02263

Table 2. Comparison of Experimental and Calculated Structural Parameters for FeCl₂(Bisphosphine) Complexes.

	FeCl₂(SciOPP)		FeCl₂(dpbz)		FeCl₂(Xantphos)		FeCl₂(^tBudppe)
	exp	calc	exp	calc	exp	calc	exp	calc
Fe–P1 (Å)	2.463(1)	2.42	2.439(1)	2.41	2.456(2)	2.45	2.429(1)	2.45
Fe–P2 (Å)	2.441(2)	2.41	2.433(1)	2.41	2.457(2)	2.44	2.455(1)	2.44
Fe–Cl1 (Å)	2.219(1)	2.25	2.219(1)	2.24	2.214(1)	2.23	2.212(1)	2.23
Fe–Cl2 (Å)	2.217(2)	2.23	2.213(1)	2.23	2.255(1)	2.23	2.223(2)	2.24
P–Fe–P (deg)	80.63(4)	83.0	80.38(3)	81.9	109.30(4)	108.8	82.85(3)	84.7
Cl–Fe–Cl (deg)	122.16(6)	121.7	124.85(4)	123.6	122.12(5)	128.6	120.65(4)	119.1

Table 2. Comparison of Experimental and Calculated Structural Parameters for FeCl2(Bisphosphine) Complexes.