Compound

Empirical formula

C₁₅H₁₂Cu₃N₃S₃

Formula weight

521.08

Temperature

293 (2) K

Wavelength (Å)

0.71073 Å

Crystal system

Monoclinic

Space group

P2 (1)/n

a (Å)

9.5899 (3) Å

b (Å)

16.0695 (5) Å

c (Å)

12.2855 (4) Å

α (deg)

90˚

β (deg)

108.968 (4)˚

γ (deg)

90˚

Volume

1790.4 (4) ų

Z

4

Calculated density (mg/m³)

1.933

μ (mm⁻¹)

3.882

F (000)

1032

Crystal size (mm³)

0.02 × 0.01 × 0.01 mm

range for data collection

2.58˚ to 25.01˚

Reflections collected

11234

Independent reflections

3167 [R_int = 0.0376]

Completeness to θ = 25.01

99.9%

Data/restraints/parameters

3167/0/217

Goodness-of-fit on F²

1.039

Final R indices [I > 2σ(I)]

R₁ = 0.0361, wR₂ = 0.0887

R indices (all data)

R₁ = 0.0523, wR₂ = 0.0981

Largest diff. peak and hole

1.062 and −0.332e. Å⁻³