Crystal data

Chemical formula

2(C7H11N2)・Cl4Cu

Mr

451.70

Crystal system, space group

Monoclinic, ˚C 2/c

Temperature (K)

100

a, b, c (Å)

12.4356 (18), 12.0901 (17), 14.094 (2)

β (˚)

115.303 (2)

V (Å3)

1915.8 (5)

Z

4

Radiation type

MoKα

µ (mm−1)

1.70

Crystal size (mm)

0.55 × 0.51 × 0.45

Data collection

Diffractometer

Bruker AXS SMART APEX CCD diffractometer

Absorption correction

Multi-scan Apex2 v2011.2-0 (Bruker, 2011)

Tmin, Tmax

0.541, 0.746

No. of measured, independent and observed [I > 2σ(I)] reflections

11188, 3100, 2920

Rint

0.016

(sin θ/λ)max−1)

0.746

Refinement

R[F2 > 2σ(F2)], wR(F2), S

0.021, 0.056, 1.07

No. of reflections

3100

No. of parameters

107

H-atom treatment

H-atom parameters constrained

Δρmax, Δρmin (e∙Å−3)

0.50, −0.58