Crystal data and structure refinement for 3.

Empirical formula	C42H34N8NiO4
Formula weight	773.48
Temperature/K	221.68
Crystal system	Monoclinic
Space group	C2/c
a/Å	24.902(7)
b/Å	11.539(3)
c/Å	16.250(6)
α/°	90
β/°	127.330(17)
γ/°	90
Volume/Å3	3713(2)
Z	4
ρ calc g cm−3	1.384
μ/mm−1	0.578
F(000)	1608.0
Crystal size/mm3	0.25 × 0.22 × 0.18
Radiation	MoKα (λ = 0.71073)
2θ range for data collection/°	5.022 to 50.208
Index ranges	−29 ≤ h ≤ 29, −13 ≤ k ≤ 13, −19 ≤ l ≤ 19
Reflections collected	17 858
Independent reflections	2761 [Rint = 0.2075, Rsigma = 0.1661]
Data/restraints/parameters	2761/0/250
Goodness-of-fit on F2	1.073
Final R indexes [I ≧ 2σ (I)]	R 1 = 0.0978, wR2 = 0.1692
Final R indexes [all data]	R 1 = 0.1542, wR2 = 0.1924
Largest diff. peak/hole/e Å−3	0.43/−1.11