Compound

1

Empirical formula

C₂₄H₄₅Cu₃N₆O₂₁

r_calc, g·cm⁻³

1.649

MW

944.28

m (Cu Kα), mm⁻¹

1014

T, K

100

Crystal size, mm

0.132 × 0.198 × 0.265

Wavelength, Å

1.54178

q range, deg

3.33 - 52.73

Crystal system

Triclinic

Limiting indices

−12 ≤ h ≤ 12

−13 ≤ k ≤ 13

−14 ≤ l ≤ 14

Space group

P-1

Reflns collected

14,230

a, Å

12.1205(3)

Independent reflns

4253

b, Å

12.7026(3)

Absorption correction

Numerical

c, Å

13.9890(3)

Data/restraints/parameters

4253/26/479

[R(int) = 0.023]

α, deg

75.034(1)

Goodness-of-fit on F²

1.095

β, deg

74.957(1)

Final R indices, [I > 2σ(I)]^[a]

R1 = 0.057,

wR2 = 0.149

γ, deg

68.415(1)

R indices (all data)^[a]

0.059

V, ų

1902.07(8)

Peak_max/hole_min (e Å⁻³)

2.03 - 0.708

Z

2