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. 2024 Feb 8;9(Pt 2):x240114. doi: 10.1107/S2414314624001147

Table 3. Experimental details.

Crystal data
Chemical formula [Ru(C10H8N2)2(C6H6N2O(H2O)](CF3SO3)2
M r 851.72
Crystal system, space group Monoclinic, P21/c
Temperature (K) 100
a, b, c (Å) 9.7878 (1), 26.2103 (3), 12.6443 (1)
β (°) 97.202 (1)
V (Å3) 3218.19 (6)
Z 4
Radiation type Cu Kα
μ (mm−1) 6.02
Crystal size (mm) 0.11 × 0.06 × 0.04
 
Data collection
Diffractometer XtaLAB Synergy, Dualflex, HyPix
Absorption correction Gaussian (CrysAlis PRO; Rigaku OD, 2023 ▸)
Tmin, Tmax 0.099, 0.513
No. of measured, independent and observed [I > 2σ(I)] reflections 35289, 5777, 5536
R int 0.072
(sin θ/λ)max (Å−1) 0.599
 
Refinement
R[F2 > 2σ(F2)], wR(F2), S 0.071, 0.159, 1.06
No. of reflections 5777
No. of parameters 496
No. of restraints 25
H-atom treatment H-atom parameters constrained
Δρmax, Δρmin (e Å−3) 1.34, −1.09

Computer programs: CrysAlis PRO (Rigaku OD, 2023 ▸), SHELXT2018/2 (Sheldrick, 2015a ▸), SHELXL2018/3 (Sheldrick, 2015b ▸), and OLEX2 (Dolomanov et al., 2009 ▸).