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. 2016 Sep 5;72(Pt 10):1374–1376. doi: 10.1107/S2056989016013815

Table 2. Experimental details.

Crystal data
Chemical formula [Zn(C8H4NO2)2(C10H14N2O)2(H2O)2]
M r 750.13
Crystal system, space group Triclinic, P Inline graphic
Temperature (K) 296
a, b, c (Å) 7.4916 (3), 8.5915 (3), 15.0343 (6)
α, β, γ (°) 86.363 (3), 75.894 (2), 74.390 (2)
V3) 903.87 (6)
Z 1
Radiation type Mo Kα
μ (mm−1) 0.74
Crystal size (mm) 0.45 × 0.30 × 0.24
 
Data collection
Diffractometer Bruker SMART BREEZE CCD
Absorption correction Multi-scan (SADABS; Bruker, 2012)
T min, T max 0.74, 0.84
No. of measured, independent and observed [I > 2σ(I)] reflections 19149, 4366, 4029
R int 0.020
(sin θ/λ)max−1) 0.666
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.032, 0.084, 1.06
No. of reflections 4366
No. of parameters 242
H-atom treatment H atoms treated by a mixture of independent and constrained refinement
Δρmax, Δρmin (e Å−3) 0.56, −0.23

Computer programs: APEX2 and SAINT (Bruker, 2012), SHELXS97 and SHELXL97 (Sheldrick, 2008), ORTEP-3 for Windows and WinGX (Farrugia, 2012) and PLATON (Spek, 2009).