Table 2.
TAMmeg Series Crystal Data
| Compound | BnTAMmeg | TAMmeg.HCl | Fe[TAMmeg] |
|---|---|---|---|
| FW | 492.57 | 422.91 | 1405.45 |
| Temp, K | 121 | 117 | 129 |
| Max 2θ | 49.58 | 49.54 | 50 |
| Crystal system | monoclinic | monoclinic | triclinic |
| Space group | P21/n | P21/c | P1̄ |
| Unit cell dimensions | |||
| a, Å | 14.4976(14) | 13.8060(36) | 12.9565(14) |
| α, ° | 90 | 90 | 102.093(2) |
| b, Å | 11.5569(11) | 8.0049(21) | 13.4514(14) |
| β, ° | 113.621(1) | 106.855(4) | 95.433(2) |
| c, Å | 16.3905(16) | 19.4346(50) | 20.209(2) |
| γ, ° | 90 | 90 | 101.532(2) |
| Volume, Å3; Z | 2516.10(51); 4 | 2055.56(72); 4 | 3340.0(6); 2 |
| Calc density, g cm−3 | 1.30 | 1.37 | 1.40 |
| Crystal size (mm) | 0.35×0.30×0.20 | 0.45×0.35×0.02 | 0.4×0.35×0.15 |
| Abs. coefficient, μ, mm−1 | 0.09 | 0.369 | 0.47 |
| Reflns collected | 10924 | 8771 | 16928 |
| Indep reflns | 4185 | 3375 | 10729 |
| Data-to-parameter ratio | 12.9 | 20.7 | 13.0 |
| Goodness-of-fit on F2 | 1.040 | 1.029 | 1.022 |
| Final R indices (I>2σ(I)) | |||
| R1 | 0.0444 | 0.1058 | 0.0456 |
| wR2 | 0.1123 | 0.2665 | 0.1173 |
| R indices (all data) | |||
| R1 | 0.0579 | 0.1787 | 0.0608 |
| wR2 | 0.1212 | 0.3194 | 0.1275 |
| Largest diff peak and hole, e−/Å3 | 0.18 and −0.25 | 0.91 and −0.87 | 0.56 and −0.73 |