Skip to main content
. 2020 Oct 23;76(Pt 11):1771–1774. doi: 10.1107/S2056989020014036

Table 2. Experimental details.

Crystal data
Chemical formula [CuCl2(C6H7N)2(CH4O)]
M r 352.73
Crystal system, space group Monoclinic, C2/c
Temperature (K) 120
a, b, c (Å) 14.4554 (4), 8.5865 (2), 24.8055 (8)
β (°) 99.209 (3)
V3) 3039.22 (16)
Z 8
Radiation type Mo Kα
μ (mm−1) 1.78
Crystal size (mm) 0.21 × 0.16 × 0.11
 
Data collection
Diffractometer Agilent XCalibur diffractometer
Absorption correction Multi-scan (CrysAlis PRO; Rigaku OD, 2018)
T min, T max 0.549, 1.000
No. of measured, independent and observed [I > 2σ(I)] reflections 15974, 5137, 4251
R int 0.040
(sin θ/λ)max−1) 0.758
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.038, 0.081, 1.13
No. of reflections 5137
No. of parameters 178
H-atom treatment H atoms treated by a mixture of independent and constrained refinement
Δρmax, Δρmin (e Å−3) 0.54, −0.51

Computer programs: CrysAlis CCD and CrysAlis RED (Oxford Diffraction, 2009), SHELXT (Sheldrick, 2015a ), SHELXL (Sheldrick, 2015b ) and OLEX2 (Dolomanov et al., 2009).