Table 1. Crystal Data and Structure Refinements for 1, 2, and 4.
| compound | 1 | 2 | 4 |
| formula | C7H7NO6Zn | C14H14Cd2N2O12 | C14H12CuKN3O8 |
| formula weight | 266.53 | 627.09 | 452.91 |
| crystal system | monoclinic | monoclinic | orthorhombic |
| space group | P121/c1 | P121/c1 | Pnma |
| a (Å) | 7.7081(4) | 7.8597(5) | 21.7641(13) |
| b (Å) | 15.6681(7) | 15.9234(10) | 17.4903(10) |
| c (Å) | 7.7483(4) | 8.0981(5) | 9.3685(5) |
| α (deg) | 90 | 90 | 90 |
| β (deg) | 113.824(2) | 114.849(2) | 90 |
| γ (deg) | 90 | 90 | 90 |
| V (Å3) | 856.04(8) | 919.67(10) | 3566.2(4) |
| Z | 4 | 18 | 8 |
| Dcalc (g cm–3) | 2.0679 | 2.2644 | 1.687 |
| μ (mm–1) | 2.879 | 2.383 | 1.51 |
| F(000) | 537.5656 | 605.1382 | 1832 |
| θmin, θmax (deg) | 2.87, 30.55 | 2.77, 30.57 | 25.7, 2.3 |
| hmin–max | –11, 10 | –11, 11 | –26, 26 |
| kmin–max | –22, 22 | –22, 22 | –21, 21 |
| lmin–max | –10, 11 | –11, 11 | –11, 11 |
| reflections collected | 2611 | 2824 | 3503 |
| data/restraints/parameters | 2611/0/163 | 2824/0/62 | 3503/594/286 |
| R1, wR2 [I > 2σ(I)]a | 0.026866/ | 0.037138/ | 0.119709 |
| R1, wR2 (all data)a | 0.037753/0.094958 | 0.041446/0.127273 | 0.1638/0.2423 |
| no. unique data | 2611 | 2824 | 3503 |
| no. Observed | 2241 | 2585 | 2320 |
| no. Variables | 163 | 62 | 286 |
| Rint | 0.0561 | 0.0388 | 0.229 |
| wR | 0.094958 | 0.127273 | 0.2423 |
| GOF on F2 | 0.760475 | 1.078909 | 1.094 |
| (Δρ)max,min (e/Å3) | 0.742389(−0.645688) | 2.328405(−4.14180) | 2.04(−1.15) |
| (Δ/δ)max, (Δ/δ)mean CCDC | 0.0003, 0.0000 | 0.0292, 0.0013 | 0.039, 0.000 |