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. 2017 Feb 3;73(Pt 3):318–321. doi: 10.1107/S2056989017001360

Table 3. Experimental details.

Crystal data
Chemical formula [Co(C4H7O2)2(H2O)]·H2O
M r 269.15
Crystal system, space group Monoclinic, P21/c
Temperature (K) 100
a, b, c (Å) 11.9999 (4), 6.3815 (2), 16.1374 (6)
β (°) 109.540 (2)
V3) 1164.59 (7)
Z 4
Radiation type Mo Kα
μ (mm−1) 1.48
Crystal size (mm) 0.35 × 0.15 × 0.1
 
Data collection
Diffractometer Bruker APEXII CCD
Absorption correction Multi-scan (SADABS; Bruker, 2014)
T min, T max 0.304, 0.417
No. of measured, independent and observed [I > 2σ(I)] reflections 25308, 5082, 4459
R int 0.070
(sin θ/λ)max−1) 0.807
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.026, 0.068, 1.03
No. of reflections 5082
No. of parameters 152
No. of restraints 4
H-atom treatment H atoms treated by a mixture of independent and constrained refinement
Δρmax, Δρmin (e Å−3) 1.25, −0.51

Computer programs: APEX2 and SAINT (Bruker, 2014), SHELXS97 (Sheldrick, 2008), SHELXL2012 (Sheldrick, 2015), DIAMOND (Brandenburg, 2012) and OLEX2 (Dolomanov et al., 2009).