Skip to main content
. 2015 Aug 22;71(Pt 9):1067–1069. doi: 10.1107/S205698901501556X

Table 2. Experimental details.

Crystal data
Chemical formula [RuCl2(C12H9BrN2)]
M r 694.21
Crystal system, space group Monoclinic, P21/c
Temperature (K) 296
a, b, c () 12.3270(7), 13.3114(7), 7.9673(4)
() 100.091(2)
V (3) 1287.13(12)
Z 2
Radiation type Mo K
(mm1) 3.94
Crystal size (mm) 0.26 0.20 0.18
 
Data collection
Diffractometer Bruker APEXII CCD
Absorption correction Multi-scan (SADABS; Bruker, 2014)
T min, T max 0.549, 0.745
No. of measured, independent and observed [I > 2(I)] reflections 15951, 2391, 1844
R int 0.054
(sin /)max (1) 0.607
 
Refinement
R[F 2 > 2(F 2)], wR(F 2), S 0.054, 0.152, 1.04
No. of reflections 2391
No. of parameters 170
No. of restraints 73
H-atom treatment H-atom parameters constrained
max, min (e 3) 0.96, 1.29

Computer programs: APEX2 and SAINT (Bruker, 2014), SHELXT (Sheldrick, 2015a ), SHELXL2007 (Sheldrick, 2015b ), OLEX2 (Dolomanov et al., 2009), publCIF (Westrip, 2010) and enCIFer (Allen et al., 2004).