Table 1.
Experimental, crystallographic and refinement data for [MnHL](BPh4), [CoHL](BPh4)·(C3H6O) and [ZnHL](BPh4)·1.67(C3H6O).
| [MnHL](BPh4) | [CoHL](BPh4)·(C3H6O) | [ZnHL](BPh4)·1.67(C3H6O) | |
|---|---|---|---|
| Empirical formula | C44H61BMnN10S2 | C47H67BCoN10OS2 | C49H70.75BN10O1.67S2Zn |
| Formula weight | 859.89 | 921.96 | 966.86 |
| Crystal system | Monoclinic | Monoclinic | Monoclinic |
| Space group | P21/c | P21/c | P21/c |
| Temperature (K) | 123(2) | 173(2) | 123(1) |
| a (Å) | 17.4842(3) | 17.2017(2) | 17.32220(10) |
| b (Å) | 35.9904(5) | 35.8919(4) | 36.0585(2) |
| c (Å) | 17.4662(3) | 17.3716(2) | 17.36950(10) |
| α (°) | 90 | 90 | 90 |
| β (°) | 100.8860(10) | 102.2170(10) | 101.7190(10) |
| γ (°) | 90 | 90 | 90 |
| V (Å3) | 10,793.1(3) | 10,482.4 | 10,623.06(11) |
| Z | 8 | 8 | 8 |
| Dc (g cm−3) | 1.058 | 1.168 | 1.209 |
| Absorption coefficient (mm−1) | 0.358 | 3.639 | 1.729 |
| F(000) | 3656 | 3928 | 4121 |
| Angle range 2θ, ° | MoKα 6.630 to 55.754 |
CuKα 7.168 to 154.048 |
CuKα 7.012 to 154.846 |
| Reflections collected | 143,110 | 102,026 | 115,251 |
| Independent reflections | 25,679 [R(int) = 0.0469] |
21,504 [R(int) = 0.0832] |
22,186 [R(int) = 0.0456] |
| Final R1 values (I > 2 σ (I)) | 0.0440 | 0.0889 | 0.0572 |
| Final wR1(F2) values (I > 2σ(I)) | 0.1111 | 0.2389 | 0.1622 |
| Final R1 values (all data) | 0.0606 | 0.1252 | 0.0617 |
| Final wR1(F2) values (all data) | 0.1180 | 0.2764 | 0.1667 |
| GoF on F2 | 1.076 | 1.036 | 1.023 |
| CSD no. | 2,072,659 | 2,072,660 | 2,072,661 |