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. 2016 Mar 15;72(Pt 4):498–501. doi: 10.1107/S2056989016004059

Table 3. Experimental details.

Crystal data
Chemical formula [Co(C10H11O2)2(C10H14N2O)2(H2O)2]
M r 777.80
Crystal system, space group Monoclinic, P21/c
Temperature (K) 100
a, b, c (Å) 12.9646 (4), 10.8636 (3), 15.6297 (5)
β (°) 111.596 (3)
V3) 2046.79 (12)
Z 2
Radiation type Mo Kα
μ (mm−1) 0.47
Crystal size (mm) 0.45 × 0.40 × 0.33
 
Data collection
Diffractometer Bruker SMART BREEZE CCD
Absorption correction Multi-scan (SADABS; Bruker, 2012)
T min, T max 0.754, 0.861
No. of measured, independent and observed [I > 2σ(I)] reflections 42492, 5124, 3701
R int 0.041
(sin θ/λ)max−1) 0.670
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.063, 0.155, 1.07
No. of reflections 5124
No. of parameters 270
No. of restraints 42
H-atom treatment H atoms treated by a mixture of independent and constrained refinement
Δρmax, Δρmin (e Å−3) 0.63, −0.39

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