Synthesis, X-Ray Crystallography, Thermal Analysis, and DFT Studies of Ni(II) Complex with 1-Vinylimidazole Ligand

Table 1

Crystal data and structure refinement parameters for the title complex.

Chemical formula	C30H36N12Ni 2(ClO4)
Formula weight	822.32
Temperature (K)	296
Wavelength (Å)	0.71073 Mo K𝛼
Crystal system	Monoclinic
Space group	P 21/n
Unit cell parameters
𝑎≠𝑏≠𝑐 (Å)	8.442(5), 13.686(8), 16.041(9)
β (°)	96.638(5)
Volume (Å^3)	1840.85(18)
𝑍	1
Calculated density (Mg/m^3)	1.484
𝜇 (mm^−1)	0.74
𝑇min, 𝑇max	0.882, 1
𝐹000	852
Crystal size (mm)	0.1×0.1×0.1
ℎmin, ℎmax	−6, 10
𝑘min, 𝑘max	−16, 14
𝑙min, 𝑙max	−19, 19
Theta range for data collection (°)	3.2≤𝜃≤26
Measured reflections	7193
Independent/observed reflections	3525
Refinement method	Full-matrix least-squares on 𝐹^2
𝑤𝑅(𝐹^2)	0.119
𝑅int	0.036
Δ𝜌max, Δ𝜌min (e/Å^3)	0.51, −0.28