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. 2019 Feb 8;75(Pt 3):328–331. doi: 10.1107/S2056989019001919

Table 1. Experimental details.

Crystal data
Chemical formula [Ni(C18H12F6N2O4)]
M r 493.01
Crystal system, space group Monoclinic, P21/n
Temperature (K) 296
a, b, c (Å) 7.0709 (4), 19.8158 (13), 13.1957 (7)
β (°) 99.089 (4)
V3) 1825.71 (19)
Z 4
Radiation type Mo Kα
μ (mm−1) 1.15
Crystal size (mm) 0.43 × 0.19 × 0.05
 
Data collection
Diffractometer Stoe IPDS 2
Absorption correction Integration (X-RED32; Stoe & Cie, 2002)
T min, T max 0.752, 0.954
No. of measured, independent and observed [I > 2σ(I)] reflections 10231, 3594, 2004
R int 0.069
(sin θ/λ)max−1) 0.617
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.042, 0.073, 0.82
No. of reflections 3594
No. of parameters 280
H-atom treatment H-atom parameters constrained
Δρmax, Δρmin (e Å−3) 0.28, −0.26

Computer programs: X-AREA and X-RED32 (Stoe & Cie, 2002), SHELXT2018 (Sheldrick, 2015a ), SHELXL2018 (Sheldrick, 2015b ), Mercury (Macrae et al., 2008), ORTEP-3 for Windows and WinGX (Farrugia, 2012) and PLATON (Spek, 2009).