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. 2015 Jun 27;71(Pt 7):847–851. doi: 10.1107/S2056989015011792

Table 2. Experimental details.

Crystal data
Chemical formula [CuCl(C17H19Cl4N3)]ClO4
M r 605.59
Crystal system, space group Orthorhombic, P b c n
Temperature (K) 150
a, b, c () 17.4845(13), 10.6593(8), 25.1030(18)
V (3) 4678.5(6)
Z 8
Radiation type Mo K
(mm1) 1.65
Crystal size (mm) 0.72 0.31 0.04
 
Data collection
Diffractometer Bruker SMART APEXII CCD
Absorption correction Multi-scan (SADABS; Bruker, 2014)
T min, T max 0.638, 0.746
No. of measured, independent and observed [I > 2(I)] reflections 51373, 6305, 4147
R int 0.081
(sin /)max (1) 0.686
 
Refinement
R[F 2 > 2(F 2)], wR(F 2), S 0.045, 0.108, 1.03
No. of reflections 6305
No. of parameters 437
No. of restraints 647
H-atom treatment H-atom parameters constrained
max, min (e 3) 0.56, 0.39

Computer programs: APEX2, SAINT, XPREP and SADABS (Bruker, 2014), SHELXS2014/7 (Sheldrick, 2008), SHELXL2014/7 (Sheldrick, 2015), CrystalMaker (CrystalMaker, 1994) and publCIF (Westrip, 2010).