Syntheses, Crystal Structures, Magnetic Behaviours, and Thermal Properties of Three Hydrogen-Bonding Networks Containing Dicyanamide and 4-Hydroxypyridine

Table 1

Crystal data and structure refinements for compounds 1–3.

	1	2	3
Empirical formula	C7H7Mn0.5N4O2	C7H7Cd0.5N4O2	C7H7Co0.5N4O2
Formula weight	206.64	235.37	208.63
Wavelength (Å)	0.71073	0.71073	0.71073
Crystal system	Monoclinic	Monoclinic	Monoclinic
Space group	𝑃21/𝑐	𝑃21/𝑐	𝑃21/𝑐
a (Å)	8.2850 (12)	8.3385 (7)	7.8788 (16)
b (Å)	14.661 (2)	14.7789 (12)	12.896 (3)
c (Å)	7.4097 (11)	7.4739 (6)	9.1106 (18)
𝛽 (°)	101.555 (2)	103.2170 (10)	96.11 (3)
V (Å^3)	881.8 (2)	896.64 (13)	920.5 (3)
Z	4	4	4
Dc/g·cm^−3	1.556	1.744	1.506
Absorption coefficient (mm^−1)	0.788	1.257	0.971
F(000)	422	468	426
Crystal size (mm)	0.25×0.23×0.18	0.25×0.22×0.17	0.28×0.24×0.19
𝜃 range (°)	2.5–25.99	2.51–27.00	2.60–26.00
Limiting indices	−10≤ℎ≤4	−10≤ℎ≤9	−9≤ℎ≤9
	−14≤𝑘≤18	−18≤𝑘≤16	−15≤𝑘≤10
	−9≤𝑙≤8	−5≤𝑙≤9	−10≤𝑙≤11
Reflections collected	3329	5184	4900
Independent reflections	1646	1929	1804
Max. and min. transmissions	0.8273 and 0.8711	0.7440 and 0.8147	0.7728 and 0.8371
Data/restraints/parameters	1646/0/136	1929/0/137	1804/9/136
Goodness-of-fit on F ^2	1.071	1.039	1.261
Final R indices [𝐼>2𝜎(I)]	𝑅1=0.0413, 𝑤𝑅2=0.1180	𝑅1=0.0200, 𝑤𝑅2=0.0506	𝑅1=0.0789, 𝑤𝑅2=0.2185
R indices (all data)	𝑅1=0.0443, 𝑤𝑅2=0.1217	𝑅1=0.0234, 𝑤𝑅2=0.0529	𝑅1=0.0844, 𝑤𝑅2=0.2205
Largest diff. peak and hole (eÅ^−3)	0.685 and −0.237	0.234 and −0.349	−0.422 and 1.142