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. 2021 Jul 27;24(1):216–223. doi: 10.1080/15685551.2021.1953239

Table 1.

The parameters of crystallography and the refinement for the complex 1.

Empirical formula C15H10N2O5Zn
Formula weight 363.62
Temperature/K 298.15
Crystal system Trigonal
Space group R-3
a/Å 21.236(3)
b/Å 21.236(3)
c/Å 22.3396(14)
α/° 90
β/° 90
γ/° 120
Volume/Å3 8725(3)
Z 18
ρcalcg/cm3 1.246
μ/mm−1 1.287
Data/restraints/parameters 4187/0/209
Goodness-of-fit on F2 1.035
Final R indexes [I ≥ 2σ (I)] R1 = 0.0381, ωR2 = 0.0938
Final R indexes [all data] R1 = 0.0586, ωR2 = 0.1019
Largest diff. peak/hole/e Å−3 0.39/-0.40
CCDC 2,010,752