Table 1.
Crystallographic data for compounds 1–7.
| 1·2DMSO | 2·4DMF·C4H8O2·H2O | 3·2DMF·4H2O | 4·2CH4O·3H2O | 5·2CH4O·2H2O | 6·4DMSO | 7·2H2O | |
|---|---|---|---|---|---|---|---|
| Formula | C56H90F12N6O22S10 Zn2 | C88.5H123.5N11.5O24S4Zn2 | C54H86N8O18Zn2 | C140H170N12O31Zn4 | C70H84N6O19Zn2 | C76H98N6O20S4Zn2 | C68H78N6O18Zn2 |
| Formula Weight | 1878.82 | 1991.55 | 1266.09 | 2778.36 | 1444.21 | 1674.62 | 1398.10 |
| Crystal system | Monoclinic | Triclinic | Monoclinic | Monoclinic | Triclinic | Triclinic | Triclinic |
| Crystal size (mm) | 0.39 × 0.37 × 0.31 | 0.45 × 0.39 × 0.32 | 0.46 × 0.41 × 0.29 | 0.39 × 0.26 × 0.22 | 0.43 × 0.40 × 0.32 | 0.46 × 0.38 × 0.35 | 0.39 × 0.36 × 0.28 |
| Space group | P21/c | P-1 | P21/c | P2(1)/c | P-1 | P-1 | P-1 |
| a (Å) | 12.5300(12) | 14.7692(3) | 9.6799(4) | 18.596(4) | 11.0068(4) | 11.6847(5) | 10.2345(4) |
| b (Å) | 20.941(2) | 18.9886(4) | 16.4617(8) | 9.6191(19) | 11.8259(4) | 11.7317(5) | 15.3764(8) |
| c (Å) | 18.1657(16) | 19.1344(4) | 20.8877(9) | 39.263(8) | 16.1201(5) | 15.8174(6) | 22.3239(12) |
| α (°) | 90 | 90.3180(10) | 90 | 90 | 74.221(3) | 90.703(2) | 86.275(4) |
| β (°) | 123.313(5) | 107.6140(10) | 110.758(2) | 91.81(3) | 87.726(3) | 93.460(2) | 89.799(4) |
| γ (°) | 90 | 104.8680(10) | 90 | 90 | 64.877(3) | 114.094(2) | 73.514(4) |
| V (Å3) | 3983.3(6) | 4923.15(18) | 3112.3(2) | 7020(2) | 1821.26(11) | 1974.13(14) | 3361.2(3) |
| Z | 2 | 2 | 2 | 2 | 1 | 1 | 2 |
| Dcalc (Mg m−3) | 1.566 | 1.343 | 1.351 | 1.314 | 1.317 | 1.409 | 1.381 |
| μ (mm−1) | 0.964 | 0.648 | 0.844 | 0.752 | 0.731 | 0.788 | 0.789 |
| F (000) | 1944 | 2120 | 1340 | 2924 | 758 | 880 | 1464 |
| No. Rfl. unique | 12158 | 29649 | 8393 | 17545 | 9039 | 8948 | 16660 |
| No. Rfl. observed | 10353 | 21994 | 6634 | 9294 | 7033 | 5891 | 8622 |
| R | 0.0502 | 0.0550 | 0.0365 | 0.0607 | 0.0615 | 0.0440 | 0.0709 |
| wR | 0.1388 | 0.1615 | 0.1152 | 0.1403 | 0.1871 | 0.1063 | 0.1504 |
| R for all | 0.0596 | 0.0794 | 0.0520 | 0.1282 | 0.0792 | 0.0952 | 0.1487 |
| wR for all | 0.1457 | 0.1827 | 0.1258 | 0.1756 | 0.2047 | 0.1397 | 0.1934 |
| GOF | 1.019 | 1.008 | 1.022 | 1.005 | 1.014 | 1.018 | 1.013 |
| CCDC number | 968282 | 1526883 | 846596 | 968278 | 968279 | 968280 | 968281 |