Compounds | 1 | 2 |
Formula | C18 H15 N3 O11 Zn | C18 H15 Cd N3 O11 |
Fw (g mol−1) | 514.7 | 561.72 |
Crystal system | monoclinic | triclinic |
space group | C 2/c | P-1 |
a(Å) | 13.4880(14) | 7.0409(4) |
b(Å) | 17.1903(17) | 9.2622(5) |
c(Å) | 16.6748(16) | 15.0016(9) |
α(°) | 90 | 91.921(4) |
β(°) | 103.071(2) | 97.366(4) |
γ(°) | 90 | 105.806(4) |
V(Å3) | 3766.1(6) | 931.15(9) |
Z | 8 | 2 |
Dcalc(g·cm−3) | 1.805 | 1.939 |
μ(mm−1) | 1.379 | 1.241 |
F(000) | 2072 | 540 |
q range (˚) | 1.95~28.28 | 2.29~25.04 |
Limiting indices | −17 ≤ h ≤ 16 −22 ≤ k ≤ 21 −22 ≤ l≤ 21 | −8 ≤ h ≤ 8 −11 ≤ k ≤ 9 −17 ≤ l ≤ 17 |
Refl. Collected/unique | 13720/4663 | 5286/3280 |
Rint | 0.0176 | 0.0373 |
Data/restraints/parameters | 4663/0/318 | 3280/4/300 |
GOF | 1.116 | 1.032 |
R1 [I > 2σ(I)]a,b | 0.0329 | 0.0336 |
wR2 [I > 2σ(I)] | 0.0967 | 0.0879 |
R1 (all data)a,b | 0.0404 | 0.0416 |
wR2 (all data) | 0.1104 | 0.0919 |
CCDC No. | 1504738 | 1504739 |