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. 2022 Apr 5;78(Pt 5):481–484. doi: 10.1107/S2056989022003449

Table 2. Experimental details.

Crystal data
Chemical formula (NH4)2[Zn(C3H7NO)(H2O)5]2[V10O28]·4H2O
M r 1522.64
Crystal system, space group Monoclinic, P21/n
Temperature (K) 120
a, b, c (Å) 15.5436 (6), 8.6538 (4), 16.7362 (7)
β (°) 108.628 (1)
V3) 2133.27 (16)
Z 2
Radiation type Mo Kα
μ (mm−1) 3.31
Crystal size (mm) 0.49 × 0.23 × 0.10
 
Data collection
Diffractometer Nonius KappaCCD with Buker APEXII detector
Absorption correction Multi-scan (SADABS; Krause et al., 2015)
T min, T max 0.57, 0.73
No. of measured, independent and observed [I > 2σ(I)] reflections 29908, 4901, 4354
R int 0.033
(sin θ/λ)max−1) 0.650
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.023, 0.056, 1.06
No. of reflections 4901
No. of parameters 372
No. of restraints 6
H-atom treatment H atoms treated by a mixture of independent and constrained refinement
Δρmax, Δρmin (e Å−3) 0.36, −0.62

Computer programs: Instrument Service (Bruker, 2021), SAINT (Bruker, 2021), SHELXT2018/2 (Sheldrick, 2015a ), SHELXL2018/3 (Sheldrick, 2015b ) and DIAMOND (Brandenburg & Putz, 2005).