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. 2015 Apr 30;71(Pt 5):561–563. doi: 10.1107/S2056989015008270

Table 2. Experimental details.

Crystal data
Chemical formula [Co(C8H4NO2)2(C6H6N2O)2(H2O)2]
M r 631.46
Crystal system, space group Triclinic, P Inline graphic
Temperature (K) 296
a, b, c () 7.6474(3), 9.9266(4), 10.2782(4)
, , () 78.680(2), 84.200(3), 71.556(2)
V (3) 725.13(5)
Z 1
Radiation type Mo K
(mm1) 0.65
Crystal size (mm) 0.43 0.29 0.16
 
Data collection
Diffractometer Bruker SMART BREEZE CCD
Absorption correction Multi-scan (SADABS; Bruker, 2012)
T min, T max 0.797, 0.901
No. of measured, independent and observed [I > 2(I)] reflections 16533, 3639, 3419
R int 0.036
(sin /)max (1) 0.672
 
Refinement
R[F 2 > 2(F 2)], wR(F 2), S 0.044, 0.119, 1.07
No. of reflections 3639
No. of parameters 212
H-atom treatment H atoms treated by a mixture of independent and constrained refinement
max, min (e 3) 0.94, 0.49

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