Skip to main content
. 2024 Feb 6;80(Pt 3):267–270. doi: 10.1107/S2056989024001051

Table 2. Experimental details.

Crystal data
Chemical formula [SmNa(C8H7O3)4][+solvent]
M r 777.88
Crystal system, space group Monoclinic, P21/c
Temperature (K) 100
a, b, c (Å) 11.5512 (7), 24.4768 (14), 12.8355 (6)
β (°) 115.742 (2)
V3) 3268.9 (3)
Z 4
Radiation type Mo Kα
μ (mm−1) 1.87
Crystal size (mm) 0.05 × 0.01 × 0.002
 
Data collection
Diffractometer Bruker D8 Venture with photon detector
Absorption correction Multi-scan (SADABS; Krause et al., 2015)
No. of measured, independent and observed [I > 2σ(I)] reflections 41476, 6204, 4562
R int 0.147
(sin θ/λ)max−1) 0.610
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.050, 0.108, 1.02
No. of reflections 6204
No. of parameters 419
H-atom treatment H-atom parameters constrained
Δρmax, Δρmin (e Å−3) 0.76, −1.13

Computer programs: APEX4 and SAINT (Bruker, 2014), SHELXT2018/2 (Sheldrick, 2015a ), SHELXL2018/3 (Sheldrick, 2015b ), and OLEX2 (Dolomanov et al., 2009).