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 |