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. 2015 Nov 14;71(Pt 12):1493–1496. doi: 10.1107/S205698901502109X

Table 2. Experimental details.

Crystal data
Chemical formula [CdCl2(C4H8N2S)2]
M r 415.67
Crystal system, space group Monoclinic, P21/c
Temperature (K) 296
a, b, c (Å) 8.5078 (8), 14.7201 (13), 12.0019 (10)
β (°) 101.016 (4)
V3) 1475.4 (2)
Z 4
Radiation type Mo Kα
μ (mm−1) 2.11
Crystal size (mm) 0.40 × 0.30 × 0.28
 
Data collection
Diffractometer Bruker APEXII CCD
Absorption correction Multi-scan (TWINABS; Sheldrick, 2009)
T min, T max 0.487, 0.589
No. of measured, independent and observed [I > 2σ(I)] reflections 3512, 3512, 3110
R int 0.037
(sin θ/λ)max−1) 0.657
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.029, 0.077, 1.05
No. of reflections 3512
No. of parameters 184
No. of restraints 50
H-atom treatment H-atom parameters constrained
Δρmax, Δρmin (e Å−3) 0.56, −1.18

Computer programs: APEX2 and SAINT (Bruker, 2007) and CELL NOW (Sheldrick, 2005), SHELXS97 (Sheldrick, 2008), SHELXL2014 (Sheldrick, 2015) and ORTEP-3 for Windows (Farrugia, 2012).