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. 2015 Jan 1;71(Pt 1):97–99. doi: 10.1107/S2056989014027182

Table 2. Experimental details.

Crystal data
Chemical formula C14H12Br4N2
M r 527.86
Crystal system, space group Monoclinic, P21/n
Temperature (K) 153
a, b, c () 8.1219(4), 4.4962(2), 21.5327(9)
() 96.706(3)
V (3) 780.95(6)
Z 2
Radiation type Mo K
(mm1) 10.30
Crystal size (mm) 0.30 0.20 0.08
 
Data collection
Diffractometer Bruker APEXII CCD area detector
Absorption correction Multi-scan (SADABS; Bruker, 2007)
T min, T max 0.148, 0.493
No. of measured, independent and observed [I > 2(I)] reflections 6211, 1356, 1213
R int 0.034
(sin /)max (1) 0.597
 
Refinement
R[F 2 > 2(F 2)], wR(F 2), S 0.023, 0.057, 1.05
No. of reflections 1356
No. of parameters 99
No. of restraints 2
H-atom treatment H atoms treated by a mixture of independent and constrained refinement
max, min (e 3) 0.52, 0.29

Computer programs: APEX2 and SAINT (Bruker, 2007), SHELXS97, SHELXL97 and SHELXTL (Sheldrick, 2008), ORTEP-3 for Windows (Farrugia, 2012).