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. 2015 Apr 22;71(Pt 5):540–543. doi: 10.1107/S205698901500746X

Table 2. Experimental details.

Crystal data
Chemical formula [Cr(NCS)2(C10H24N4)]2[ZnCl4]
M r 944.15
Crystal system, space group Monoclinic, P2/c
Temperature (K) 260
a, b, c () 7.9990(16), 16.532(3), 15.430(3)
() 101.36(3)
V (3) 2000.5(7)
Z 2
Radiation type Synchrotron, = 0.610
(mm1) 1.07
Crystal size (mm) 0.22 0.19 0.12
 
Data collection
Diffractometer ADSC Q210 CCD area detector diffractometer
Absorption correction Empirical (using intensity measurements) (HKL3000sm SCALEPACK; Otwinowski Minor, 1997)
T min, T max 0.801, 0.883
No. of measured, independent and observed [I > 2(I)] reflections 20982, 5738, 5500
R int 0.018
(sin /)max (1) 0.706
 
Refinement
R[F 2 > 2(F 2)], wR(F 2), S 0.025, 0.072, 1.06
No. of reflections 5738
No. of parameters 217
H-atom treatment H-atom parameters constrained
max, min (e 3) 0.60, 0.58

Computer programs: PAL ADSC Quantum-210 ADX (Arvai Nielsen, 1983), HKL3000sm (Otwinowski Minor, 1997), SHELXT2014/5 (Sheldrick, 2015a ), SHELXL2014/7 (Sheldrick, 2015b ), DIAMOND (Putz Brandenburg, 2014) nd publCIF (Westrip, 2010).