Complex

Compound 1

Compound 2

Compound 3

Empirical formula

C₆H₈N₂O₃S

C₁₂H₂₂N₄O₉S₂

C₁₈H₃₅N₆O₁₆S₃

Formula weight

188.20

430.46

687.70

Temperature (K)

296.15

296.15

296.15

Wavelength (Å)

0.71073

0.71073

0.71073

Crystal system

Monoclinic

Orthorhombic

Triclinic

Space group

P2₁/c

Pbcm

P-1

a (Å)

7.9728(8)

6.8818(19)

9.102(4)

b (Å)

5.8389(6)

14.739(4)

11.718(5)

c (Å)

15.5022(16)

17.508(5)

16.835(8)

α (˚)

90

90

100.291(6)

β (˚)

98.7230(10)

90

102.983(6)

γ (˚)

90

90

111.707(4)

Volume (Å)³

713.32(13)

1775.8(8)

1556.3(13)

Z

4

4

2

D_calc (g·cm⁻³)

1.752

1.610

1.468

μ (Mo-Kα) (mm⁻¹)

0.416

0.357

0.316

F(000)

392.0

904

722.0

Total refln

4205

10549

9763

R_int

0.0156

0.0190

0.0411

GoF^c

1.056

1.060

1.063

R1^a, wR2^b (I > 2σ(I))

0.0411, 0.1154

0.0393, 0.1149

0.0814, 0.2180

R1, wR2 (all data)

0.0457, 0.1200

0.0448, 0.1206

0.1168, 0.2623