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. 2020 Jan 1;76(Pt 1):53–61. doi: 10.1107/S2056989019016529

Table 7. Experimental details.

  (I) (II)
Crystal data
Chemical formula [Co(C14H9Cl2N2O)2] [Cu(C14H9Cl2N2O)2]
M r 643.19 647.80
Crystal system, space group Triclinic, P Inline graphic Triclinic, P Inline graphic
Temperature (K) 296 296
a, b, c (Å) 8.8137 (10), 10.4801 (12), 15.0785 (17) 8.1300 (7), 8.5072 (11), 9.7386 (13)
α, β, γ (°) 85.684 (7), 77.984 (7), 84.965 (7) 83.240 (4), 87.646 (3), 81.533 (4)
V3) 1354.7 (3) 661.39 (14)
Z 2 1
Radiation type Mo Kα Mo Kα
μ (mm−1) 1.06 1.27
Crystal size (mm) 0.35 × 0.30 × 0.30 0.35 × 0.35 × 0.30
 
Data collection
Diffractometer Bruker Kappa APEXII CCD Bruker Kappa APEXII CCD
Absorption correction Multi-scan (SADABS; Bruker, 2004) Multi-scan (SADABS; Bruker, 2004)
T min, T max 0.631, 0.746 0.637, 0.714
No. of measured, independent and observed [I > 2σ(I)] reflections 45690, 6959, 4590 5554, 3090, 2708
R int 0.102 0.021
(sin θ/λ)max−1) 0.678 0.667
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.045, 0.112, 1.04 0.033, 0.093, 1.05
No. of reflections 6959 3090
No. of parameters 352 178
H-atom treatment H-atom parameters constrained H-atom parameters constrained
Δρmax, Δρmin (e Å−3) 0.45, −0.50 0.44, −0.46

Computer programs: APEX2 and SAINT (Bruker, 2004),SIR92 (Altomare et al., 1994), SHELXL2017/1 (Sheldrick, 2015), ORTEP-3 for Windows (Farrugia, 2012), DIAMOND (Brandenburg, 2006) and publCIF (Westrip, 2010).