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. 2016 Jun 21;72(Pt 7):984–987. doi: 10.1107/S2056989016009518

Table 2. Experimental details.

Crystal data
Chemical formula [AgBr(C7H7NS)(C18H15P)2]
M r 849.51
Crystal system, space group Monoclinic, P21/n
Temperature (K) 293
a, b, c (Å) 14.4354 (5), 14.1925 (5), 19.1682 (6)
β (°) 98.786 (1)
V3) 3881.0 (2)
Z 4
Radiation type Mo Kα
μ (mm−1) 1.72
Crystal size (mm) 0.23 × 0.13 × 0.08
 
Data collection
Diffractometer Bruker APEX CCD area-detector
Absorption correction Multi-scan (SADABS; Bruker, 2003)
T min, T max 0.885, 1.000
No. of measured, independent and observed [I > 2σ(I)] reflections 52150, 9261, 6704
R int 0.048
(sin θ/λ)max−1) 0.658
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.036, 0.085, 1.02
No. of reflections 9261
No. of parameters 450
No. of restraints 2
H-atom treatment H atoms treated by a mixture of independent and constrained refinement
Δρmax, Δρmin (e Å−3) 0.47, −0.24

Computer programs: SMART and SAINT (Bruker, 2003), SHELXT2014 (Sheldrick, 2015a ), SHELXL2014 (Sheldrick, 2015b ), Mercury (Macrae et al., 2008), WinGX (Farrugia, 2012) and publCIF (Westrip, 2010).