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. 2015 May 20;71(Pt 6):650–653. doi: 10.1107/S2056989015009184

Table 2. Experimental details.

Crystal data
Chemical formula [Cr(NCS)2(C2H8N2)2]ClO4
M r 387.82
Crystal system, space group Monoclinic, C2/c
Temperature (K) 260
a, b, c () 15.599(3), 7.4440(15), 13.792(3)
() 105.83(3)
V (3) 1540.8(6)
Z 4
Radiation type Synchrotron, = 0.630
(mm1) 0.86
Crystal size (mm) 0.14 0.13 0.13
 
Data collection
Diffractometer ADSC Q210 CCD area detector
Absorption correction Empirical (using intensity measurements) (HKL3000sm SCALEAPCK; Otwinowski Minor, 1997)
T min, T max 0.893, 0.897
No. of measured, independent and observed [I > 2(I)] reflections 8172, 2121, 2019
R int 0.015
(sin /)max (1) 0.696
 
Refinement
R[F 2 > 2(F 2)], wR(F 2), S 0.060, 0.178, 1.09
No. of reflections 2121
No. of parameters 140
H-atom treatment H-atom parameters constrained
max, min (e 3) 0.74, 1.12

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