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. 2014 Jul 19;70(Pt 8):91–93. doi: 10.1107/S160053681401544X

Table 2. Experimental details.

Crystal data
Chemical formula [Cu(C3H5NS2)(C6H8N2S3)]NO3
M r 449.13
Crystal system, space group Monoclinic, P21/m
Temperature (K) 293
a, b, c (Å) 9.8937 (6), 6.9932 (5), 11.8054 (7)
β (°) 102.078 (1)
V3) 798.72 (9)
Z 2
Radiation type Mo Kα
μ (mm−1) 2.04
Crystal size (mm) 0.35 × 0.12 × 0.06
 
Data collection
Diffractometer Bruker APEX CCD area detector
Absorption correction Multi-scan (SADABS; Bruker, 2003)
T min, T max 0.814, 1.000
No. of measured, independent and observed [I > 2s(I)] reflections 8700, 1534, 1402
R int 0.026
(sin θ/λ)max−1) 0.595
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.029, 0.080, 1.07
No. of reflections 1534
No. of parameters 133
No. of restraints 1
H-atom treatment H atoms treated by a mixture of independent and constrained refinement
Δρmax, Δρmin (e Å−3) 0.37, −0.27

Computer programs: SMART (Bruker, 1998), SAINT (Bruker, 2003), ShelXle (Hübschle et al., 2011), SHELXTL (Sheldrick, 2008), Mercury (Macrae et al., 2008), PLATON (Spek, 2009) and publCIF (Westrip, 2010).