Empirical formula

C₅₁H₄₀Cu₂N₇O₁₂

Formula weight

1081.04

Temperature/K

95.01 (10)

Crystal system

monoclinic

Space group

P2₁/n

a/Å

18.3200 (4)

b/Å

13.9885 (4)

c/Å

18.6759 (5)

α/˚

90

β/˚

101.765 (2)

γ/˚

90

Volume/ų

4685.5 (2)

Z

4

ρcalcg/cm³

1.5324

F(000)

2231.8

Crystal size/mm³

N/A × N/A × N/A

Radiation/Å

Mo Kα (λ = 0.71073)

2Θ range for data collection/˚

3.5 to 64.22

Reflections collected

30,842

Independent reflections

14,639 [R_int = 0.0337, R_sigma = 0.0595]

Reflections with I >= 2u(I)

10,704

Goodness-of-fit on F²

1.041

Final R indexes [I >= 2u(I)]

R₁ = 0.0558, wR₂ = 0.1313

Final R indexes [all data]

R₁ = 0.0822, wR₂ = 0.1500