Synthesis, Spectral, Thermogravimetric, XRD, Molecular Modelling and Potential Antibacterial Studies of Dimeric Complexes with Bis Bidentate ON–NO Donor Azo Dye Ligands

Table 4

(a) X-ray diffraction data of the complex [Co₂LCl₂(H₂O)₆]. (b) X-ray diffraction data of the complex [Co₂L′Cl₂(H₂O)₆].

(a)

Observed 2𝜃	Calculated 2𝜃	𝑑 spacing	ℎ	𝑘	𝐿	Difference 2𝜃
10.57	10.58	8.357	0	1	1	0.01
11.69	11.70	7.560	0	0	2	0.01
12.81	12.78	6.920	1	0	2	0.03

𝑎  = 22.571 Å, α = 90°, volume (𝑉) = 3423.29 ų, figure of merit = 6.8.
𝑏 = 10.031 Å, β = 96.785°, density (𝑑) = 0.880 g cm⁻³, Bravais lattice = 𝑝.
𝑐 = 15.226 Å, 𝛾=900°, number of unit cell (𝑛) = 2.
Probable crystal system = monoclinic.

(b)

Observed 2𝜃	Calculated 2𝜃	𝑑 spacing	ℎ	𝑘	𝐿	Difference 2𝜃
10.09	10.08	8.770	1	0	0	0.01
13.41	13.46	6.575	0	1	0	0.05
15.57	15.62	5.667	0	3	0	0.05
17.49	17.48	5.069	1	1	1	0.01

𝑎 = 15.682 Å, α = 90°, volume (𝑉) = 1090.49 ų, figure of merit = 8.8.
𝑏 = 10.596 Å, 𝛽 = 98.070°, density (𝑑) = 2.77 g cm⁻³, Bravais lattice = 𝑝.
𝑐 = 6.628 Å, 𝛾 = 90°, number of unit Cell (𝑛) = 2.
Probable crystal system = monoclinic.