Crystallographic data for 9 to 13.
| 9 | 10a | 10b | 10c | 11monoclinic | 11triclinic | 12 | 13 | |
|---|---|---|---|---|---|---|---|---|
| Empirical formula | C24H22ClN3O4Zn | C31H34N6O4.5Zn | C28H26Cl6N4O4Zn | C27H26Cl2N4O4Zn | C36H31N5O6Zn | C36H31N5O6Zn | C28H30N4O6Zn | C36H31N5O7Zn |
| Formula weight | 517.26 | 628.01 | 760.60 | 606.79 | 695.03 | 695.03 | 583.93 | 711.03 |
| Crystal system | Monoclinic | Triclinic | Monoclinic | Triclinic | Monoclinic | Triclinic | Monoclinic | Monoclinic |
| Space group | P2/c | P1̄ | P21/n | P1̄ | P21/c | P1̄ | P21/n | P21/n |
| T [K] | 150.00(10) | 150.00(10) | 150.00(10) | 125.00(10) | 150.00(10) | 150.00(10) | 150.00(10) | 150.00(10) |
| λ [Å] | 0.71073 | 0.71073 | 0.71073 | 0.71073 | 0.71073 | 0.71073 | 0.71073 | 0.71073 |
| a [Å] | 9.5603(6) | 7.9798(2) | 10.2026(3) | 7.9088(2) | 10.1666(6) | 9.3854(9) | 10.6517(5) | 13.0755(4) |
| b [Å] | 6.7219(8) | 12.1068(3) | 20.3546(5) | 12.5987(4) | 17.0493(12) | 12.6764(12) | 17.8533(8) | 12.9618(5) |
| c [Å] | 17.1475(12) | 15.2595(4) | 15.8428(5) | 14.7809(5) | 18.2066(9) | 13.5914(12) | 13.5909(5) | 20.0571(7) |
| α [°] | 90 | 81.018(2) | 90 | 114.123(3) | 90 | 93.234(8) | 90 | 90 |
| β [°] | 91.675(7) | 78.984(2) | 97.780(2) | 99.089(2) | 101.886(5) | 90.556(8) | 91.999(4) | 93.157(3) |
| γ [°] | 90 | 86.388(2) | 90 | 93.237(2) | 90 | 99.664(9) | 90 | 90 |
| V [Å3] | 1101.49(17) | 1428.47(6) | 3259.79(16) | 1315.26(8) | 3088.1(3) | 1591.2(3) | 2582.98(19) | 3394.2(2) |
| Z | 2 | 2 | 4 | 2 | 4 | 2 | 4 | 4 |
| D calc [g cm−3] | 1.560 | 1.460 | 1.550 | 1.532 | 1.495 | 1.451 | 1.502 | 1.391 |
| μ [mm−1] | 1.274 | 0.910 | 1.285 | 1.179 | 0.853 | 0.828 | 1.003 | 0.780 |
| Collected reflections | 5444 | 24 625 | 38 010 | 20 933 | 17 097 | 11 616 | 12 761 | 16 839 |
| Unique reflections | 2536 | 6572 | 7490 | 6040 | 7095 | 7130 | 5925 | 7775 |
| Observed reflections | 2178 | 6213 | 6163 | 5319 | 5059 | 2271 | 4521 | 5844 |
| R int | 0.0325 | 0.0273 | 0.0340 | 0.0326 | 0.0431 | 0.3299 | 0.0242 | 0.0286 |
| R 1 (I > 2σ(I)) | 0.0350 | 0.0374 | 0.0430 | 0.0382 | 0.0648 | 0.1638 | 0.0344 | 0.0397 |
| wR 2 (all data) | 0.0867 | 0.0874 | 0.1082 | 0.1030 | 0.1616 | 0.4640 | 0.0888 | 0.1033 |