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. 2023 Aug 30;8(Pt 8):x230745. doi: 10.1107/S2414314623007459

Table 2. Experimental details.

Crystal data
Chemical formula [Cu2(C9H6O4)2(C16H20N4)]
M r 751.71
Crystal system, space group Triclinic, P Inline graphic
Temperature (K) 173
a, b, c (Å) 8.5431 (8), 9.7391 (9), 9.9667 (9)
α, β, γ (°) 104.523 (1), 93.049 (1), 99.966 (1)
V3) 786.57 (13)
Z 1
Radiation type Mo Kα
μ (mm−1) 1.41
Crystal size (mm) 0.20 × 0.11 × 0.07
 
Data collection
Diffractometer Bruker APEXII CCD
Absorption correction Multi-scan (SADABS; Bruker, 2014)
T min, T max 0.693, 0.745
No. of measured, independent and observed [I > 2σ(I)] reflections 10964, 2883, 2459
R int 0.042
(sin θ/λ)max−1) 0.602
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.044, 0.114, 1.12
No. of reflections 2883
No. of parameters 217
H-atom treatment H-atom parameters constrained
Δρmax, Δρmin (e Å−3) 1.53, −0.32

Computer programs: COSMO (Bruker 2009), SAINT (Bruker, 2014), SHELXT (Sheldrick, 2015a ), SHELXL (Sheldrick, 2015b ), CrystalMakerX (Palmer, 2020), and OLEX2 (Dolomanov et al., 2009).