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. 2024 Jul 23;9(Pt 7):x240704. doi: 10.1107/S2414314624007041

Table 2. Experimental details.

Crystal data
Chemical formula [RhCl(C8H12)(C8H15N3)]
M r 399.76
Crystal system, space group Triclinic, PInline graphic
Temperature (K) 100
a, b, c (Å) 9.6253 (1), 13.6771 (2), 13.7938 (2)
α, β, γ (°) 76.410 (1), 83.455 (1), 80.345 (1)
V3) 1734.78 (4)
Z 4
Radiation type Mo Kα
μ (mm−1) 1.14
Crystal size (mm) 0.30 × 0.23 × 0.15
 
Data collection
Diffractometer Rigaku XtaLAB Synergy-S
Absorption correction Multi-scan (CrysAlis PRO; Rigaku OD, 2024)
Tmin, Tmax 0.770, 1.000
No. of measured, independent and observed [I > 2σ(I)] reflections 52942, 8619, 7885
R int 0.037
(sin θ/λ)max−1) 0.667
 
Refinement
R[F2 > 2σ(F2)], wR(F2), S 0.025, 0.066, 1.03
No. of reflections 8619
No. of parameters 385
H-atom treatment H-atom parameters constrained
Δρmax, Δρmin (e Å−3) 1.02, −0.50

Computer programs: CrysAlis PRO (Rigaku OD, 2024), SHELXT (Sheldrick, 2015a), SHELXL2018/3 (Sheldrick, 2015b), OLEX2 (Dolomanov et al., 2009) and publCIF (Westrip, 2010).