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. 2020 Jan 1;76(Pt 1):111–114. doi: 10.1107/S2056989019016669

Table 3. Experimental details.

Crystal data
Chemical formula [Cu(C2H8N2)2(H2O)2](C7H4NO4)2
M r 552.00
Crystal system, space group Monoclinic, C c
Temperature (K) 100
a, b, c (Å) 26.7742 (16), 20.8916 (14), 8.4254 (5)
β (°) 93.460 (3)
V3) 4704.2 (5)
Z 8
Radiation type Mo Kα
μ (mm−1) 0.99
Crystal size (mm) 0.52 × 0.32 × 0.3
 
Data collection
Diffractometer Bruker APEXII CCD
Absorption correction Multi-scan (SADABS; Bruker, 2013)
T min, T max 0.593, 0.746
No. of measured, independent and observed [I > 2σ(I)] reflections 44253, 13693, 11671
R int 0.038
(sin θ/λ)max−1) 0.746
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.056, 0.138, 1.07
No. of reflections 13693
No. of parameters 1026
No. of restraints 1750
H-atom treatment H-atom parameters constrained
Δρmax, Δρmin (e Å−3) 0.95, −0.86
Absolute structure Refined as an inversion twin
Absolute structure parameter 0.49 (2)

Computer programs: APEX2and SAINT (Bruker, 2013), SHELXS97 (Sheldrick, 2008), SHELXL2018 (Sheldrick, 2015) and OLEX2 (Dolomanov et al., 2009).