Syntheses and Crystal Structures of [Cu₃{𝜇-(NSPh₂)₂N}₂Cl₂] and [Cu₃{𝜇-(NSPh₂)₂N}₂{(NSPh₂)₂N}₂]Cl₂

Table 1

Crystallographic Data for Compounds 3 and 4.

	3	4 ⋅4H2O
Formula	C96H80Cl8Cu6N12S8	C96H88Cl2Cu3N12O4S8
Fw	2323.04	1991.87
Cryst size (mm)	0.23 × 0.22 × 0.06	0.66 × 0.29 × 0.28
Temp (K)	296(2)	296(2)
λ (Å)	0.71075	0.71075
Cryst syst	triclinic	triclinic
Space group	P-1	P-1
a (Å)	9.294(4)	13.527 (6)
b (Å)	14.015(5)	15.760(6)
c (Å)	18.792(6)	16.493(6)
𝛼 (deg)	93.941(12)	60.552(14)
𝛽 (deg)	93.138(13)	64.828(14)
𝛾 (deg)	94.280(12)	88.128(15)
V (Å^3)	2430.7(14)	2700.9(17)
Z	1	1
𝜌𝑐 (Mg/m^3)	1.587	1.220
𝜇 (mm^-1)	1.734	0.839
F(000)	1178	1021
𝑇min/𝑇max	0.6912/0.9031	0.6073/0.7989
𝜃 range/deg	3.00–27.48	3.01–27.48
Reflns collcd	23995	26115
Indp reflns	10973	12146
𝑅int	0.096	0.04
Data/restrains/params	10973/0/589	12146/0/565
𝑅1,𝑤𝑅2	0.0688, 0.1074	0.0683, 0.1961
(𝐼>2𝜎[𝐼])
𝑅1,𝑤𝑅2 (all data)	0.1542, 0.1337	0.1110, 0.2293
GOF/F^2	1.024	1.018