Compound

1

2

Empirical formula

C₆₈H₈₈Cu₃N₆O₄₂S₁₁Sm₂

C₆₀H₆₀Cu₃N₆O₃₆S₈Dy₂

Formula weight

2453.57

2195.38

Crystal system

Triclinic

Triclinic

Space group

P-1

P-1

a/Å

11.9943(5)

17.005(3)

b/Å

13.3535(5)

17.539(3)

c/Å

15.4288(6)

21.668(4)

α/˚

110.795(2)

92.01(3)

β/˚

101.239(2)

104.49(3)

γ/˚

94.795(2)

107.16(3)

Volume/ų

2234.21(15)

5936.8(18)

Z

1

2

Absorption coefficient

2.157

1.913

F(000)

911

1914

R_int

0.0328

0.0434

Completeness

99.4%

96.5%

GooF

1.055

1.054

R(I > 2σ(I))

R1 = 0.0584

R1 = 0.0494

wR2 = 0.1555

wR2 = 0.1327

R(all data)

R1 = 0.0642

R1 = 0.0558

wR2 = 0.1600

wR2 = 0.1369

Largest diff peak and hole

3.612, −3.757

1.697, −1.770