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. 2019 Oct 29;75(Pt 11):1759–1762. doi: 10.1107/S2056989019014142

Table 2. Experimental details.

Crystal data
Chemical formula [Zn(C12H6O4)(C15H11NO)]
M r 380.68
Crystal system, space group Triclinic, P Inline graphic
Temperature (K) 193
a, b, c (Å) 7.9134 (5), 8.3006 (5), 12.6413 (8)
α, β, γ (°) 97.873 (4), 91.620 (4), 91.991 (5)
V3) 821.57 (9)
Z 2
Radiation type Mo Kα
μ (mm−1) 1.52
Crystal size (mm) 0.10 × 0.04 × 0.04
 
Data collection
Diffractometer Bruker SMART APEXII CCD area detector
Absorption correction Multi-scan (SADABS; Bruker, 2008)
T min, T max 0.863, 0.942
No. of measured, independent and observed [I > 2σ(I)] reflections 13141, 3336, 2436
R int 0.075
(sin θ/λ)max−1) 0.625
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.042, 0.081, 1.00
No. of reflections 3336
No. of parameters 237
No. of restraints 41
H-atom treatment H-atom parameters constrained
Δρmax, Δρmin (e Å−3) 0.33, −0.37

Computer programs: APEX2 (Bruker, 2008), SAINT (Bruker, 2008), SHELXS97 (Sheldrick, 2008), SHELXL2017 (Sheldrick, 2015), SHELXTL (Bruker, 2008) and publCIF (Westrip, 2010).