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. 2023 Sep 8;8(Pt 9):x230747. doi: 10.1107/S2414314623007472

Table 3. Experimental details.

Crystal data
Chemical formula [Cu2(C4H4O4)2(C11H10N4O)]
M r 573.45
Crystal system, space group Monoclinic, P21/c
Temperature (K) 173
a, b, c (Å) 15.587 (2), 6.7579 (10), 20.942 (3)
β (°) 111.614 (2)
V3) 2050.9 (5)
Z 4
Radiation type Mo Kα
μ (mm−1) 2.14
Crystal size (mm) 0.24 × 0.12 × 0.05
 
Data collection
Diffractometer Bruker APEXII CCD
Absorption correction Multi-scan (SADABS; Bruker, 2013)
T min, T max 0.568, 0.745
No. of measured, independent and observed [I > 2σ(I)] reflections 15941, 3758, 2378
R int 0.110
(sin θ/λ)max−1) 0.603
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.056, 0.151, 0.99
No. of reflections 3758
No. of parameters 307
H-atom treatment H-atom parameters constrained
Δρmax, Δρmin (e Å−3) 1.12, −0.60

Computer programs: COSMO (Bruker, 2009), SAINT (Bruker, 2013), SHELXT2018 (Sheldrick, 2015a ), SHELXL2018 (Sheldrick, 2015b ), CrystalMakerX (Palmer, 2020), and OLEX2 (Dolomanov et al., 2009).