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. 2016 Jun 3;72(Pt 7):888–891. doi: 10.1107/S2056989016008689

Table 2. Experimental details.

Crystal data
Chemical formula [Co(C11H13O2)2(C6H6N2O)2(H2O)2]·2H2O
M r 729.69
Crystal system, space group Triclinic, P Inline graphic
Temperature (K) 296
a, b, c (Å) 7.9608 (5), 10.0679 (6), 12.3007 (7)
α, β, γ (°) 72.087 (2), 74.841 (3), 78.660 (3)
V3) 898.17 (9)
Z 1
Radiation type Mo Kα
μ (mm−1) 0.54
Crystal size (mm) 0.45 × 0.34 × 0.28
 
Data collection
Diffractometer Bruker SMART BREEZE CCD
Absorption correction Multi-scan (SADABS; Bruker, 2012)
T min, T max 0.80, 0.86
No. of measured, independent and observed [I > 2σ(I)] reflections 19515, 4491, 4226
R int 0.024
(sin θ/λ)max−1) 0.669
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.036, 0.101, 1.04
No. of reflections 4491
No. of parameters 276
No. of restraints 156
H-atom treatment H atoms treated by a mixture of independent and constrained refinement
Δρmax, Δρmin (e Å−3) 0.57, −0.20

Computer programs: APEX2 and SAINT (Bruker, 2012), SHELXS97 (Sheldrick, 2008), SHELXL2014 (Sheldrick, 2015), ORTEP-3 for Windows and WinGX (Farrugia, 2012) and PLATON (Spek, 2009).