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. 2024 Sep 17;9(Pt 9):x240893. doi: 10.1107/S2414314624008939

Table 2. Experimental details.

Crystal data
Chemical formula [Ru(C12H14NO2)2(C12H8N2)]PF6
M r 834.73
Crystal system, space group Tetragonal, P41212
Temperature (K) 173
a, c (Å) 15.3094 (13), 15.315 (2)
V3) 3589.5 (8)
Z 4
Radiation type Mo Kα
μ (mm−1) 0.56
Crystal size (mm) 0.46 × 0.43 × 0.42
 
Data collection
Diffractometer Bruker APEXII CCD
Absorption correction Multi-scan (SADABS; Krause et al., 2015)
Tmin, Tmax 0.638, 0.746
No. of measured, independent and observed [I > 2σ(I)] reflections 53896, 4516, 3564
R int 0.067
(sin θ/λ)max−1) 0.669
 
Refinement
R[F2 > 2σ(F2)], wR(F2), S 0.038, 0.107, 1.04
No. of reflections 4516
No. of parameters 245
No. of restraints 26
H-atom treatment H-atom parameters constrained
Δρmax, Δρmin (e Å−3) 0.38, −0.41
Absolute structure Flack x determined using 1296 quotients [(I+)−(I)]/[(I+)+(I)] (Parsons et al., 2013)
Absolute structure parameter −0.003 (14)

Computer programs: APEX2 and SAINT (Bruker, 2010), SHELXT (Sheldrick, 2015a), SHELXL (Sheldrick, 2015b), Mercury (Macrae et al.., 2020), publCIF (Westrip, 2010) and WinGX (Farrugia, 2012).