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. 2016 Jan 13;72(Pt 2):158–163. doi: 10.1107/S2056989016000165

Table 5. Experimental details.

Crystal data
Chemical formula [Cd(C6H12NOS2)2(C4H10N2)]
M r 555.11
Crystal system, space group Monoclinic, P21/c
Temperature (K) 100
a, b, c (Å) 15.341 (3), 16.9915 (7), 9.0308 (8)
β (°) 100.620 (16)
V3) 2313.7 (5)
Z 4
Radiation type Mo Kα
μ (mm−1) 1.32
Crystal size (mm) 0.35 × 0.30 × 0.25
 
Data collection
Diffractometer Agilent SuperNova Dual diffractometer with Atlas detector
Absorption correction Multi-scan (CrysAlis PRO; Agilent, 2011)
T min, T max 0.805, 1.000
No. of measured, independent and observed [I > 2σ(I)] reflections 19918, 5336, 4483
R int 0.035
(sin θ/λ)max−1) 0.651
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.026, 0.058, 1.03
No. of reflections 5336
No. of parameters 260
No. of restraints 4
Δρmax, Δρmin (e Å−3) 0.45, −0.45

Computer programs: CrysAlis PRO (Agilent, 2011), SHELXS97 (Sheldrick, 2008), SHELXL2014/7 (Sheldrick, 2015), ORTEP-3 for Windows (Farrugia, 2012), DIAMOND (Brandenburg, 2006) and publCIF (Westrip, 2010).