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. 2016 Jan 1;72(Pt 1):21–24. doi: 10.1107/S2056989015023269

Table 2. Experimental details.

Crystal data
Chemical formula [Co2(C3H3O4)2Cl2(H2O)2]
M r 430.90
Crystal system, space group Orthorhombic, P b c a
Temperature (K) 296
a, b, c (Å) 7.568 (5), 8.879 (5), 19.168 (5)
V3) 1288.0 (12)
Z 4
Radiation type Mo Kα
μ (mm−1) 3.04
Crystal size (mm) 0.20 × 0.14 × 0.07
 
Data collection
Diffractometer Nonius KappaCCD
Absorption correction Multi-scan (SADABS; Bruker, 2004)
T min, T max 0.632, 0.820
No. of measured, independent and observed [I > 2σ(I)] reflections 6888, 1875, 1400
R int 0.055
(sin θ/λ)max−1) 0.704
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.046, 0.116, 1.05
No. of reflections 1875
No. of parameters 91
H-atom treatment H-atom parameters constrained
Δρmax, Δρmin (e Å−3) 1.05, −1.00

Computer programs: COLLECT (Nonius, 2000), DENZO/SCALEPACK (Otwinowski & Minor, 1997), SHELXS97 and SHELXL97 (Sheldrick, 2008) and DIAMOND (Brandenburg, 2010).