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. 2024 Jan 1;80(Pt 1):78–82. doi: 10.1107/S2056989023010873

Table 3. Experimental details.

Crystal data
Chemical formula [Li(C6H6N)(C4H8O)3]
M r 315.37
Crystal system, space group Monoclinic, P21/n
Temperature (K) 100
a, b, c (Å) 9.267 (3), 13.178 (4), 15.053 (5)
β (°) 94.437 (6)
V3) 1832.7 (10)
Z 4
Radiation type Mo Kα
μ (mm−1) 0.08
Crystal size (mm) 0.39 × 0.29 × 0.21
 
Data collection
Diffractometer Bruker APEXII CCD
Absorption correction Multi-scan (SADABS; Krause et al., 2015)
T min, T max 0.493, 0.570
No. of measured, independent and observed [I > 2σ(I)] reflections 58129, 10326, 7724
R int 0.048
(sin θ/λ)max−1) 0.909
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.052, 0.159, 1.04
No. of reflections 10326
No. of parameters 226
H-atom treatment H atoms treated by a mixture of independent and constrained refinement
Δρmax, Δρmin (e Å−3) 0.68, −0.39

Computer programs: APEX2 and SAINT V8.40B (Bruker, 2016), SHELXT (Sheldrick, 2015a ), SHELXL2014/7 (Sheldrick, 2015b ) and OLEX2 (Dolomanov et al., 2009).