Skip to main content
. 2016 Oct 25;72(Pt 11):1633–1636. doi: 10.1107/S2056989016015413

Table 2. Experimental details.

Crystal data
Chemical formula [Cu2Cl4(C5H7N3O2)4]·2C2H3N
M r 915.53
Crystal system, space group Monoclinic, P21/c
Temperature (K) 130
a, b, c (Å) 13.9545 (8), 6.7004 (4), 19.5031 (11)
β (°) 96.424 (1)
V3) 1812.10 (18)
Z 2
Radiation type Mo Kα
μ (mm−1) 1.54
Crystal size (mm) 0.35 × 0.17 × 0.10
 
Data collection
Diffractometer Bruker APEXII CCD
Absorption correction Multi-scan (SADABS; Bruker, 2010)
T min, T max 0.637, 0.746
No. of measured, independent and observed [I > 2σ(I)] reflections 28822, 5564, 5034
R int 0.033
(sin θ/λ)max−1) 0.716
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.024, 0.071, 1.26
No. of reflections 5564
No. of parameters 212
H-atom treatment H-atom parameters constrained
Δρmax, Δρmin (e Å−3) 0.51, −0.51

Computer programs: APEX2 and SAINT (Bruker, 2010), SHELXS97 and SHELXTL (Sheldrick, 2008) and SHELXL2014 (Sheldrick, 2015).