Skip to main content
. 2014 Oct 4;70(Pt 11):286–289. doi: 10.1107/S1600536814021436

Table 2. Experimental details.

Crystal data
Chemical formula  
M r 412.99
Crystal system, space group Monoclinic, P21/n
Temperature (K) 295
a, b, c () 7.6270(17), 7.2603(16), 13.580(3)
() 91.91(2)
V (3) 751.6(3)
Z 2
Radiation type Ag K, = 0.56085
(mm1) 0.72
Crystal size (mm) 0.20 0.20 0.20
 
Data collection
Diffractometer EnrafNonius CAD-4
Absorption correction scan (North et al., 1968)
T min, T max 0.945, 0.958
No. of measured, independent and observed [I > 2(I)] reflections 1706, 1640, 1215
R int 0.021
(sin /)max (1) 0.638
 
Refinement
R[F 2 > 2(F 2)], wR(F 2), S 0.035, 0.077, 1.02
No. of reflections 1640
No. of parameters 140
No. of restraints 3
max, min (e 3) 0.34, 0.31

Computer programs: CAD-4 EXPRESS (EnrafNonius, 1994), XCAD4 (Harms Wocadlo, 1995), SHELXS97 and SHELXL2013 (Sheldrick, 2008), ORTEP-3 for Windows and WinGX (Farrugia, 2012).