Synthesis, Structural Characterization, and Biological Activity Studies of Ni(II) and Zn(II) Complexes

Table 5

Observed and calculated powder XRD patterns of (a) [Ni(L₁)₂] (b) [Zn(L₁)₂]·H2O.

(a)

S. number	2𝜃		Δ2𝜃	𝑑-spacing		ℎ	𝑘	𝑙
	Observed	Calculated		Observed	Calculated
1	10.57	10.57	0	8.3627	8.3627	0	1	0
2	11.29	11.29	0	7.8314	7.8314	1	0	0
3	13.44	13.44	0	6.5805	6.5805	0	0	1
4	14.79	14.79	0	5.9847	5.9847	−1	1	0
5	15.75	15.75	0	5.6205	5.6205	−1	−1	1
6	17.79	17.79	0	4.9805	4.9805	−1	1	1
7	18.85	18.68	0.164	4.7046	4.7455	0	1	1
8	21.16	21.22	−0.06	4.1962	4.1845	1	0	1
9	22.14	22.06	0.074	4.0121	4.0255	1	−1	1
10	24.05	24.07	−0.013	3.6968	3.6948	−1	0	2
11	25.04	24.99	0.054	3.5533	3.5608	1	2	0
12	26.33	26.35	−0.017	3.382	3.3799	−1	2	1
13	28.1	28.04	0.061	3.1731	3.1799	−1	1	2
14	32.65	32.65	0	2.7404	2.7405	2	2	0
15	35.06	35.07	−0.012	2.5575	2.5566	−3	1	0
16	38.92	38.86	0.054	2.3124	2.3155	−2	3	1
17	43.89	43.95	−0.058	2.0612	2.0586	−1	3	2
18	45.13	45.16	−0.033	2.0076	2.0062	−2	−3	3

(b)

S. number	2𝜃 values		Δ2𝜃	𝑑-spacing		ℎ	𝑘	𝑙
	Observed	Calculated		Observed	Calculated
1	12.58	12.58	0	7.0315	7.0315	1	1	0
2	13.81	13.81	0	6.4077	6.4077	−1	0	1
3	15.73	15.73	0	5.6299	5.6299	1	0	1
4	17.35	17.35	0	5.1064	5.1064	−1	1	1
5	20.75	20.77	−0.017	4.2777	4.2742	−1	3	0
6	24.09	24.13	−0.031	3.6907	3.6859	−1	−3	2
7	25.32	25.31	0.012	3.5141	3.5158	2	2	0
8	27.93	27.97	−0.038	3.1916	3.1873	−1	−4	2
9	30.15	30.16	−0.008	2.9620	2.9612	0	−3	3
10	31.92	31.90	0.021	2.8015	2.8033	2	−5	2
11	34.43	34.45	−0.017	2.6028	2.6016	−1	5	0
12	36.05	36.06	−0.008	2.4892	2.4886	−1	0	3
13	42.75	42.83	−0.081	2.1137	2.1099	3	1	2