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. 2022 Feb 17;7(Pt 2):x220148. doi: 10.1107/S2414314622001481

Table 1. Experimental details.

Crystal data
Chemical formula [Ni(C14H8Cl2S2)2]
M r 681.16
Crystal system, space group Triclinic, P Inline graphic
Temperature (K) 170
a, b, c (Å) 9.5487 (4), 11.4141 (4), 15.0254 (6)
α, β, γ (°) 107.486 (2), 94.791 (2), 111.423 (2)
V3) 1419.16 (10)
Z 2
Radiation type Mo Kα
μ (mm−1) 1.37
Crystal size (mm) 0.27 × 0.15 × 0.10
 
Data collection
Diffractometer Bruker D8 QUEST PHOTON 3 diffractometer
Absorption correction Numerical (SADABS; Krause et al., 2015)
T min, T max 0.76, 0.88
No. of measured, independent and observed [I > 2σ(I)] reflections 89629, 8009, 5941
R int 0.056
(sin θ/λ)max−1) 0.696
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.040, 0.112, 1.03
No. of reflections 8009
No. of parameters 334
H-atom treatment H-atom parameters constrained
Δρmax, Δρmin (e Å−3) 0.78, −0.45

Computer programs: APEX3 and SAINT (Bruker, 2020), SHELXT (Sheldrick, 2015a ), SHELXL2018/1 (Sheldrick, 2015b ), DIAMOND (Brandenburg & Putz, 2012), and SHELXTL (Sheldrick, 2008).