Skip to main content
. 2017 May 9;73(Pt 6):829–831. doi: 10.1107/S2056989017006405

Table 2. Experimental details.

Crystal data
Chemical formula [AgCl(C7H7N3O2S)(C18H15P)2]
M r 865.07
Crystal system, space group Monoclinic, P21/c
Temperature (K) 100
a, b, c (Å) 11.8581 (2), 28.5087 (4), 12.0272 (2)
β (°) 104.9338 (17)
V3) 3928.57 (11)
Z 4
Radiation type Cu Kα
μ (mm−1) 6.33
Crystal size (mm) 0.25 × 0.23 × 0.18
 
Data collection
Diffractometer Rigaku RAPID II curved image plate diffractometer
Absorption correction Multi-scan (SCALEPACK; Otwinowski & Minor, 1997)
T min, T max 0.253, 0.395
No. of measured, independent and observed [I > 2σ(I)] reflections 73254, 7590, 7495
R int 0.051
(sin θ/λ)max−1) 0.618
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.027, 0.068, 1.08
No. of reflections 7590
No. of parameters 485
No. of restraints 2
H-atom treatment H atoms treated by a mixture of independent and constrained refinement
Δρmax, Δρmin (e Å−3) 0.43, −0.37

Computer programs: CrystalClear-SM Expert (Rigaku, 2014), HKL-3000 (Otwinowski & Minor, 1997), SHELXS97 and SHELXL97 (Sheldrick, 2008), SHELXL2014 (Sheldrick, 2015), SHELXLE (Hübschle et al., 2011), Mercury (Macrae et al., 2008) and publCIF (Westrip, 2010).