Table 1.

Crystal data for [Mn(Tp^Ph2)(DMF)₃](OTf)(C₅₉H₆₃BF₃MnN₉O₇S) and [Mn(O₂)(Tp^Ph2)(THF)] (C₅₈H₆₂BMnN₆O₅).

formula	C59H63BF3MnN9O7S	C58H62BMnN6O5
MW	1164.99	988.89
T, K	100(2)	100(2)
unit cell	monoclinic	monoclinic
a, Å	17.6441(10)	12.928(2)
b, Å	14.8052(8)	21.642(4)
c, Å	21.9441(11)	18.633(3)
α	90	90
β	93.243(4)	103.572(4)
γ	90	90
V, Å3	5723.2(5)	5067.5(15)
Z	4	4
d(calcd), g/cm3	1.352	1.296
space group	P2(1)/n	P2(1)/n
R	0.0638	0.0514
Rw	0.1649	0.1474
GOF	0.928	1.077

R = Σ ||F_o| − |F_c||/Σ |F_o|

R_w = {Σ [w(F_o² − F_c²)²]/Σ [w(F_o²)²]}^1/2