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. 2021 Feb 19;77(Pt 3):282–285. doi: 10.1107/S2056989021001286

Table 2. Experimental details.

Crystal data
Chemical formula [Cu(C4H4O6)(C10H8N2)]
M r 367.80
Crystal system, space group Triclinic, P\overline{1}
Temperature (K) 90
a, b, c (Å) 7.6516 (5), 9.9272 (6), 10.0722 (6)
α, β, γ (°) 95.204 (4), 107.729 (4), 111.462 (4)
V3) 660.34 (7)
Z 2
Radiation type Mo Kα
μ (mm−1) 1.69
Crystal size (mm) 0.15 × 0.09 × 0.07
 
Data collection
Diffractometer Bruker Kappa APEXII DUO CCD
Absorption correction Multi-scan (SADABS; Krause et al., 2015)
T min, T max 0.838, 0.891
No. of measured, independent and observed [I > 2σ(I)] reflections 18442, 4041, 2675
R int 0.063
(sin θ/λ)max−1) 0.715
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.049, 0.105, 1.02
No. of reflections 4041
No. of parameters 214
No. of restraints 2
H-atom treatment H atoms treated by a mixture of independent and constrained refinement
Δρmax, Δρmin (e Å−3) 0.74, −0.56

Computer programs: APEX3 and SAINT (Bruker, 2016), SHELXT2014/5 (Sheldrick, 2015a ), SHELXL2014/7 (Sheldrick, 2015b ), Mercury (Macrae et al., 2020), and publCIF (Westrip, 2010).