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. 2025 Nov 21;10(Pt 11):x251003. doi: 10.1107/S241431462501003X

Table 2. Experimental details.

Crystal data
Chemical formula [Zn(C6H12NO4)2]·H2O
M r 407.74
Crystal system, space group Monoclinic, P21/c
Temperature (K) 100
a, b, c (Å) 19.0518 (11), 12.1167 (7), 7.1255 (5)
β (°) 99.961 (5)
V3) 1620.09 (18)
Z 4
Radiation type Mo Kα
μ (mm−1) 1.57
Crystal size (mm) 0.5 × 0.22 × 0.17
 
Data collection
Diffractometer Enraf–Nonius KappaCCD
Absorption correction Numerical [analytical numeric absorption correction with PLATON (Spek, 2020), using a multifaceted crystal model (de Meulenaer & Tompa, 1965)]
Tmin, Tmax 0.462, 0.765
No. of measured, independent and observed [I ≥ 2u(I)] reflections 16916, 3710, 3003
R int 0.026
(sin θ/λ)max−1) 0.650
 
Refinement
R[F2 > 2σ(F2)], wR(F2), S 0.025, 0.056, 1.05
No. of reflections 3710
No. of parameters 248
No. of restraints 6
H-atom treatment H atoms treated by a mixture of independent and constrained refinement
Δρmax, Δρmin (e Å−3) 0.44, −0.41

Computer programs: COLLECT (Hooft, 1998), DIRAX/LSQ (Duisenberg, 1992), EVALCCD (Duisenberg et al., 2003), OLEX2 (Dolomanov et al., 2009), OLEX2.refine (Bourhis et al., 2015) and publCIF (Westrip, 2010).