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. 2021 Nov 4;77(Pt 12):1229–1233. doi: 10.1107/S2056989021011294

Table 3. Experimental details.

Crystal data
Chemical formula [Sb3Te(C6H5)9O6]
M r 1282.75
Crystal system, space group Monoclinic, C2/c
Temperature (K) 173
a, b, c (Å) 47.714 (2), 9.1176 (4), 22.9324 (10)
β (°) 104.168 (4)
V3) 9672.9 (8)
Z 8
Radiation type Mo Kα
μ (mm−1) 2.31
Crystal size (mm) 0.28 × 0.22 × 0.21
 
Data collection
Diffractometer Stoe IPDS
Absorption correction Numerical [X-RED (Stoe & Cie, 2001) and X-SHAPE (Stoe & Cie, 1999)]
T min, T max 0.499, 0.572
No. of measured, independent and observed [I > 2σ(I)] reflections 29796, 10754, 8356
R int 0.053
(sin θ/λ)max−1) 0.644
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.038, 0.096, 0.93
No. of reflections 10754
No. of parameters 577
H-atom treatment H-atom parameters constrained
Δρmax, Δρmin (e Å−3) 1.00, −1.24

Computer programs: IPDS Software (Stoe & Cie, 2000), SHELXS97 (Sheldrick, 2008), SHELXL2018/1 (Sheldrick, 2015), DIAMOND (Brandenburg, 1999) and WinGX (Farrugia, 2012).