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. 2015 Apr 25;71(Pt 5):555–557. doi: 10.1107/S2056989015007707

Table 2. Experimental details.

Crystal data
Chemical formula (C5H6ClN2)2[CoCl4]
M r 459.87
Crystal system, space group Monoclinic, P21/c
Temperature (K) 298
a, b, c () 13.519(2), 14.945(3), 8.725(2)
() 92.858(3)
V (3) 1760.6(6)
Z 4
Radiation type Mo K
(mm1) 1.88
Crystal size (mm) 0.5 0.3 0.2
 
Data collection
Diffractometer EnrafNonius CAD-4
Absorption correction scan (North et al., 1968)
T min, T max 0.423, 0.649
No. of measured, independent and observed [I > 2(I)] reflections 6241, 3707, 2121
R int 0.039
(sin /)max (1) 0.638
 
Refinement
R[F 2 > 2(F 2)], wR(F 2), S 0.041, 0.109, 0.99
No. of reflections 3707
No. of parameters 190
H-atom treatment H-atom parameters not refined
max, min (e 3) 0.52, 0.34

Computer programs: CAD-4 EXPRESS (EnrafNonius, 1994), XCAD4 (Harms Wocadlo, 1995), SHELXS97 and SHELXL97 (Sheldrick, 2008), DIAMOND (Brandenburg, 2008) and publCIF (Westrip, 2010).