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. 2024 Sep 17;80(Pt 10):1020–1023. doi: 10.1107/S205698902400882X

Table 2. Experimental details.

Crystal data
Chemical formula [In2(C18H22NO2)2Cl4(H2O)2]
M r 976.20
Crystal system, space group Triclinic, PInline graphic
Temperature (K) 163
a, b, c (Å) 10.297 (4), 10.940 (4), 11.711 (5)
α, β, γ (°) 63.57 (3), 72.47 (3), 62.92 (3)
V3) 1043.8 (8)
Z 1
Radiation type Mo Kα
μ (mm−1) 1.40
Crystal size (mm) 0.19 × 0.10 × 0.07
 
Data collection
Diffractometer Stoe Stadivari
Absorption correction Multi-scan (X-RED32; Stoe & Cie, 2002)
Tmin, Tmax 0.766, 0.907
No. of measured, independent and observed [I > 2σ(I)] reflections 62899, 62899, 42801
R int 0.039
 
Refinement
R[F2 > 2σ(F2)], wR(F2), S 0.039, 0.061, 0.88
No. of reflections 62899
No. of parameters 234
H-atom treatment H atoms treated by a mixture of independent and constrained refinement
Δρmax, Δρmin (e Å−3) 0.94, −0.74

Computer programs: X-AREA, X-RED32 and LANA (Stoe & Cie, 2002), SHELXT2018/2 (Sheldrick, 2015a), SHELXL2018/3 (Sheldrick, 2015b), OLEX2 (Dolomanov et al., 2009), XP in SHELXTL (Sheldrick, 2008) and ORTEP-3 for Windows (Farrugia, 2012).