Complex

1

Empirical formula

C10H7ClN6Cu2

Formula weight

373.75

Temperature

293(2)

Crystal system

Monoclinic

Space group

P 21/c

a/Å

10.628(5)

b/Å

9.591(5)

c/Å

11.220(5)

α/º

90

β/º

100.583(5)

γ/º

90

V/Å3

1124.2(9)

Z

4

Dc/g cm−3

2.208

µ(Mo Kα)/mm−1

4.012

F(000)

736

Reflections collected

7070

Unique reflections

1995

R(int)

0.0266

GOF on F2

1.068

Final R indices [I > 2sigma(I)]

R1 = 0.0337, wR2= 0.0783

R indices (all data)

R1 = 0.0389, wR2 = 0.0814

aR1 = Σ||Fo| − |Fc||/Σ|Fo|. bwR2 = {Σ[w(Fo2 − Fc2)2]/Σ[w(Fo2)2]}1/2