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. 2023 Sep 22;8(Pt 9):x230801. doi: 10.1107/S2414314623008015

Table 3. Experimental details.

Crystal data
Chemical formula [Cr2(C2H3O2)4(C4H8O)2]
M r 484.38
Crystal system, space group Monoclinic, C2/c
Temperature (K) 213
a, b, c (Å) 20.833 (4), 9.6413 (15), 15.654 (3)
β (°) 136.283 (10)
V3) 2172.9 (7)
Z 4
Radiation type Mo Kα
μ (mm−1) 1.05
Crystal size (mm) 0.19 × 0.16 × 0.14
 
Data collection
Diffractometer Stoe IPDSII
Absorption correction Integration [Absorption correction with X-RED32 (Stoe, 2009) by Gaussian integration analogous to Coppens (1970)]
T min, T max 0.736, 0.873
No. of measured, independent and observed [I > 2σ(I)] reflections 8042, 2297, 2085
R int 0.025
(sin θ/λ)max−1) 0.634
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.028, 0.084, 1.06
No. of reflections 2297
No. of parameters 129
H-atom treatment H-atom parameters constrained
Δρmax, Δρmin (e Å−3) 0.54, −0.25

Computer programs: X-AREA (Stoe, 2016), SHELXT (Sheldrick, 2015a ), SHELXL (Sheldrick, 2015b ), DIAMOND (Brandenburg, 2019 and OLEX2 (Dolomanov et al., 2009).