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. 2024 Feb 8;9(Pt 2):x240109. doi: 10.1107/S2414314624001093

Table 2. Experimental details.

Crystal data
Chemical formula [Pd(C10H8N2)(C12H12N2O2)](CF3SO3)2
M r 776.96
Crystal system, space group Monoclinic, P21/c
Temperature (K) 100
a, b, c (Å) 14.4340 (3), 13.9644 (2), 14.2126 (2)
β (°) 102.5361 (16)
V3) 2796.41 (8)
Z 4
Radiation type Cu Kα
μ (mm−1) 7.64
Crystal size (mm) 0.23 × 0.11 × 0.08
 
Data collection
Diffractometer XtaLAB Synergy, Dualflex, HyPix
Absorption correction Gaussian (CrysAlis PRO; Rigaku OD, 2022)
Tmin, Tmax 0.512, 1.000
No. of measured, independent and observed [I > 2σ(I)] reflections 26480, 5585, 5101
R int 0.053
(sin θ/λ)max−1) 0.630
 
Refinement
R[F2 > 2σ(F2)], wR(F2), S 0.038, 0.100, 1.04
No. of reflections 5585
No. of parameters 408
H-atom treatment H-atom parameters constrained
Δρmax, Δρmin (e Å−3) 0.80, −1.09

Computer programs: CrysAlis PRO (Rigaku OD, 2022), SHELXT (Sheldrick, 2015a), SHELXL (Sheldrick, 2015b), and OLEX2 (Dolomanov et al., 2009).