Synthesis and Structural Characterization of a New Tetranuclear Nickel(II) Sulfato Complex Containing the Anionic Form of Di-2-Pyridyl Ketone Oxime

Table 1

Summary of crystal data, data collection, and structure refinement for the X-ray diffraction study of complex 1.

Complex	1
Empirical formula	Ni4C48H48N24O16S2
Formula weight	1515.97
Colour, habit	orange, rod
Crystal system	orthorhombic
Space group	𝑃𝑐𝑐𝑛
a (Å)	14.2969 (10)
b (Å)	20.9678 (14)
c (Å)	18.5395 (13)
V (Å^3)	5557.7 (7)
Z	4
ρ calc (g cm^-3)	1.609
Radiation, λ (Å)	0.71073
μ (mm^-1)	1.488
F (000)	2760
Temperature (K)	100 (2)
2θ max [°]	61
Ranges h	−18 → 18
k	−21 → 27
l	−27 → 23
Measured reflections	42848
Unique reflections	6377
Reflections used	3703
(𝐼>2𝜎(I))
Parameters refined	374
GoF (on 𝐹^2)	0.903
𝑅1 ^a (𝐼>2𝜎(I))	0.0464
w 𝑅2 ^b (𝐼>2𝜎(I))	0.1042
(Δ𝜌)max/(Δ𝜌)min (e Å^-3)	0.861/−0.621

^a𝑅₁=∑(|𝐹_𝑜|−|𝐹_𝑐|)/∑(|𝐹_𝑜|).
^b𝑤𝑅₂={∑[𝑤(𝐹_𝑜2−𝐹_c²)²]/∑[𝑤(𝐹_𝑜2)²]}^1/2.