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. 2016 Jun 21;72(Pt 7):1009–1012. doi: 10.1107/S2056989016009701

Table 2. Experimental details.

Crystal data
Chemical formula [Cu(C16H28N4)](ClO4)2
M r 538.86
Crystal system, space group Monoclinic, P21/n
Temperature (K) 100
a, b, c (Å) 8.6918 (12), 12.0588 (16), 20.068 (3)
β (°) 90.153 (3)
V3) 2103.4 (5)
Z 4
Radiation type Mo Kα
μ (mm−1) 1.35
Crystal size (mm) 0.24 × 0.21 × 0.21
 
Data collection
Diffractometer Bruker D8 QUEST
Absorption correction Multi-scan (Krause et al., 2015)
T min, T max 0.414, 0.454
No. of measured, independent and observed [I > 2σ(I)] reflections 36478, 5284, 5054
R int 0.030
(sin θ/λ)max−1) 0.687
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.026, 0.062, 1.06
No. of reflections 5284
No. of parameters 292
H-atom treatment H atoms treated by a mixture of independent and constrained refinement
Δρmax, Δρmin (e Å−3) 0.50, −0.33

Computer programs: APEX2 and SAINT (Bruker, 2013), SHELXT (Sheldrick, 2015a ), SHELXL2014 (Sheldrick, 2015b ), Mercury (Macrae et al., 2006), OLEX2 (Dolomanov et al., 2009) and publCIF (Westrip, 2010).