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. 2015 Apr 9;71(Pt 5):452–454. doi: 10.1107/S2056989015006544

Table 2. Experimental details.

Crystal data
Chemical formula [Co(N3)2(C12H8N4S)2]
M r 623.56
Crystal system, space group Monoclinic, P21/c
Temperature (K) 296
a, b, c () 7.8004(3), 8.2439(3), 20.3222(8)
() 92.910(2)
V (3) 1305.15(9)
Z 2
Radiation type Mo K
(mm1) 0.86
Crystal size (mm) 0.39 0.31 0.18
 
Data collection
Diffractometer Bruker APEXII CCD
Absorption correction Multi-scan (SADABS; Bruker, 2009)
T min, T max 0.640, 0.747
No. of measured, independent and observed [I > 2(I)] reflections 27415, 3667, 2884
R int 0.043
(sin /)max (1) 0.694
 
Refinement
R[F 2 > 2(F 2)], wR(F 2), S 0.035, 0.088, 1.03
No. of reflections 3667
No. of parameters 187
H-atom treatment H-atom parameters constrained
max, min (e 3) 0.70, 0.26

Computer programs: APEX2 and SAINT (Bruker, 2009), SHELXS97 and SHELXL97 (Sheldrick, 2008), ORTEP-3 for Windows and WinGX (Farrugia, 2012).