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. 2018 Jun 28;74(Pt 7):1026–1029. doi: 10.1107/S2056989018008861

Table 3. Experimental details.

Crystal data
Chemical formula [Co(C6H6N2O)2(H2O)4](C4H4O4)
M r 491.32
Crystal system, space group Monoclinic, P21/c
Temperature (K) 296
a, b, c (Å) 9.6757 (8), 10.0381 (8), 11.4947 (10)
β (°) 112.489 (6)
V3) 1031.53 (15)
Z 2
Radiation type Mo Kα
μ (mm−1) 0.89
Crystal size (mm) 0.68 × 0.49 × 0.37
 
Data collection
Diffractometer Stoe IPDS 2
Absorption correction Integration (X-RED32; Stoe & Cie, 2002)
T min, T max 0.664, 0.770
No. of measured, independent and observed [I > 2σ(I)] reflections 5748, 2125, 1709
R int 0.033
(sin θ/λ)max−1) 0.628
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.034, 0.087, 1.02
No. of reflections 2125
No. of parameters 166
H-atom treatment H atoms treated by a mixture of independent and constrained refinement
Δρmax, Δρmin (e Å−3) 0.28, −0.38

Computer programs: X-AREA and X-RED32 (Stoe & Cie, 2002), SHELXS97 (Sheldrick, 2008), SHELXL2017 (Sheldrick, 2015), ORTEP-3 for Windows (Farrugia, 2012), Mercury (Macrae et al., 2008) and PLATON (Spek, 2009).