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. 2022 Feb 3;78(Pt 3):282–286. doi: 10.1107/S2056989022001116

Table 3. Experimental details.

Crystal data
Chemical formula C42H48N6O18Tm2
M r 1262.72
Crystal system, space group Triclinic, P Inline graphic
Temperature (K) 296
a, b, c (Å) 8.9659 (6), 10.9722 (7), 12.8027 (8)
α, β, γ (°) 88.195 (3), 71.599 (3), 74.402 (3)
V3) 1149.10 (13)
Z 1
Radiation type Mo Kα
μ (mm−1) 3.92
Crystal size (mm) 0.32 × 0.18 × 0.16
 
Data collection
Diffractometer Bruker Kappa APEXII CCD
Absorption correction Multi-scan (SADABS; Krause et al., 2015)
T min, T max 0.983, 0.986
No. of measured, independent and observed [I > 2σ(I)] reflections 13239, 4891, 4358
R int 0.037
(sin θ/λ)max−1) 0.639
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.029, 0.064, 1.04
No. of reflections 4891
No. of parameters 343
No. of restraints 19
H-atom treatment H atoms treated by a mixture of independent and constrained refinement
Δρmax, Δρmin (e Å−3) 1.80, −1.07

Computer programs: APEX2 and SAINT (Bruker, 2007), SHELXS97 (Sheldrick, 2008), SHELXL2018/3 (Sheldrick, 2015), ORTEP-3 for Windows WinGX (Farrugia, 2012) and PLATON (Spek, 2020).