Table 1. Crystal Data, Collection, and Structure Refinement Parameters for [Fe(L)](CF3SO3)2, [Co(L)]Cl2·2H2O, and [Ni(L)](CF3SO3)2·H2O.
| [Fe(L)](CF3SO3)2 | [Co(L)]Cl2·2H2O | [Ni(L)](CF3O3)2·H2O | |
|---|---|---|---|
| empirical formula | C16H28N4O11F6S2Fe | C14H32N4O7Cl2Co | C16H30N4O12F6S2Ni |
| formula weight | 686.39 | 498.25 | 707.23 |
| crystal system | monoclinic | tetragonal | monoclinic |
| space group | P21/c (No. 14) | P41212 (No. 92) | C2/c (No. 15) |
| crystal size (mm3) | 0.1 × 0.08 × 0.04 | 0.3 × 0.1 × 0.1 | 0.1 × 0.05 × 0.02 |
| temperature (K) | 90 | 90 | 90 |
| a (Å) | 14.7576(6) | 7.3537(4) | 11.6016(6) |
| b (Å) | 9.6299(4) | 7.3537(4) | 23.6949(11) |
| c (Å) | 18.3995(9) | 38.8642(18) | 20.8143(10) |
| α (deg) | 90 | 90 | 90 |
| β (deg) | 92.5065(13) | 90 | 95.4010(14) |
| γ (deg) | 90 | 90 | 90 |
| V (Å3) | 2612.3(2) | 2101.66(19) | 5696.4(5) |
| Z | 4 | 4 | 8 |
| ρcalc (g cm–3) | 1.74 | 1.57 | 1.65 |
| μ (mm–1) | 0.841 | 1.114 | 0.929 |
| F000 | 1408.0 | 1044.0 | 2912.0 |
| R1_obs | 0.032 | 0.028 | 0.037 |
| R1_all | 0.048 | 0.030 | 0.057 |
| wR2_obs | 0.070 | 0.064 | 0.088 |
| wR2_all | 0.077 | 0.064 | 0.097 |
| goodness-of-fit | 1.013 | 1.060 | 1.020 |