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. 2017 Oct 20;73(Pt 11):1712–1715. doi: 10.1107/S2056989017014633

Table 2. Experimental details.

Crystal data
Chemical formula (C8H18N2)[CuCl3(NO3)(H2O)]
M r 392.16
Crystal system, space group Monoclinic, P21/n
Temperature (K) 150
a, b, c (Å) 6.2464 (3), 13.5674 (6), 17.4584 (8)
β (°) 100.128 (1)
V3) 1456.50 (12)
Z 4
Radiation type Mo Kα
μ (mm−1) 2.06
Crystal size (mm) 0.25 × 0.20 × 0.15
 
Data collection
Diffractometer Bruker APEXII CCD
Absorption correction Multi-scan (SADABS; Sheldrick, 2015)
No. of measured, independent and observed [I > 2σ(I)] reflections 16933, 3523, 3382
R int 0.012
(sin θ/λ)max−1) 0.661
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.018, 0.049, 1.05
No. of reflections 3523
No. of parameters 197
H-atom treatment H atoms treated by a mixture of independent and constrained refinement
Δρmax, Δρmin (e Å−3) 0.43, −0.31

Computer programs: APEX2 and SAINT (Bruker, 2015), SHELXT (Sheldrick, 2015), SHELXL (Sheldrick, 2015), Mercury (Macrae et al., 2008), OLEX2 (Dolomanov et al., 2009) and publCIF (Westrip, 2010).