Skip to main content
. 2015 Jan 1;71(Pt 1):100–103. doi: 10.1107/S2056989014027479

Table 2. Experimental details.

Crystal data
Chemical formula [Cr(NCS)2(C2H8N2)2]2[ZnCl4]
M r 783.90
Crystal system, space group Triclinic, P Inline graphic
Temperature (K) 100
a, b, c () 7.6870(15), 13.853(3), 14.560(3)
, , () 92.74(3), 92.76(3), 90.21(3)
V (3) 1546.9(5)
Z 2
Radiation type Synchrotron, = 0.62998
(mm1) 1.50
Crystal size (mm) 0.10 0.03 0.03
 
Data collection
Diffractometer ADSC Q210 CCD area detector
Absorption correction Empirical (using intensity measurements) (HKL3000sm SCALEPACK; Otwinowski Minor, 1997)
T min, T max 0.865, 0.956
No. of measured, independent and observed [I > 2(I)] reflections 17036, 8546, 8434
R int 0.014
(sin /)max (1) 0.696
 
Refinement
R[F 2 > 2(F 2)], wR(F 2), S 0.018, 0.049, 1.03
No. of reflections 8546
No. of parameters 322
H-atom treatment H-atom parameters constrained
max, min (e 3) 0.48, 0.60

Computer programs: PAL ADSC Quantum-210 ADX (Arvai Nielsen, 1983), HKL3000sm (Otwinowski Minor, 1997), SHELXT2014 and SHELXL2014 (Sheldrick, 2008), DIAMOND (Brandenburg, 2007), WinGX (Farrugia, 2012) and publCIF (Westrip, 2010).