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. 2020 Jan 1;76(Pt 1):38–41. doi: 10.1107/S205698901901627X

Table 3. Experimental details.

Crystal data
Chemical formula [Cu2(C2H3N)2(C3H6S2)2] (PF6)2
M r 711.52
Crystal system, space group Orthorhombic, P n a21
Temperature (K) 105
a, b, c (Å) 11.8409 (9), 12.9273 (9), 15.2921 (11)
V3) 2340.8 (3)
Z 4
Radiation type Mo Kα
μ (mm−1) 2.41
Crystal size (mm) 0.33 × 0.32 × 0.27
 
Data collection
Diffractometer Bruker D8 VENTURE area detector
Absorption correction Multi-scan (TWINABS; Bruker, 2016)
T min, T max 0.608, 0.746
No. of measured, independent and observed [I > 2σ(I)] reflections 40393, 8122, 7092
R int 0.040
(sin θ/λ)max−1) 0.769
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.034, 0.080, 1.03
No. of reflections 8122
No. of parameters 293
No. of restraints 1
H-atom treatment H-atom parameters constrained
Δρmax, Δρmin (e Å−3) 0.93, −0.73

Computer programs: APEX2 and SAINT (Bruker, 2016), SHELXT (Sheldrick, 2015a ), SHELXL (Sheldrick, 2015b ), OLEX2 (Dolomanov et al., 2009), Mercury (Macrae et al., 2008), PLATON (Spek, 2009) and publCIF (Westrip, 2010).