Table 1.
Complete Crystallographic Details for [Co(TpivPP)(2-MeHIm)]·2C2H5OH, [Co(α,α,β,β-TpivPP)(2-MeHIm), (2-MeIm−)](monoclinic), [Co(α,α,β,β-TpivPP)(2-MeHIm)(2-MeIm−)] (triclinic)
| [Co(TpivPP)(2-MeHIm)] | [Co(α,α,β,β-TpivPP)(2-MeHIm) | [Co(α,α,β,β-TpivPP)(2-MeHIm) | |
|---|---|---|---|
| ·2C2H5OH | (2-MeIm−)](monoclinic) | (2-MeIm−)](triclinic) | |
| chemical formula | C72H82CoN10O6 | C87.9H90.9CoN12O4 | C79.05H82.05CoN12O4 |
| FW | 1242.41 | 1438.36 | 1323.15 |
| a, Å | 18.5616(7) | 24.4864(15) | 13.6800(5) |
| b, Å | 19.6540(7) | 14.8242(9) | 21.1364(7) |
| c, Å | 17.8515(6) | 21.1191(11) | 26.2946(9) |
| α, deg | 90 | 90 | 95.239(2) |
| β, deg | 90.834(1) | 104.159(2) | 101.426(2) |
| γ, deg | 90 | 90 | 102.866(1) |
| V, Å3 | 6511.7(4) | 7433.2(7) | 7191.9(4) |
| space group | C2/c | P21/c | P1̄ |
| Z | 4 | 4 | 4 |
| temp, K | 100 | 100 | 100 |
| Dcalcd, g cm−3 | 1.267 | 1.285 | 1.222 |
| μ, mm−1 | 0.324 | 0.293 | 0.297 |
| final R indices | R1 = 0.0459 | R1 = 0.0769 | R1 = 0.0807 |
| [I > 2σ(I)] | wR2 = 0.1292 | wR2 = 0.1968 | wR2 = 0.2282 |
| final R indices | R1 = 0.0593 | R1 = 0.1015 | R1 = 0.1192 |
| (all data) | wR2 = 0.1400 | wR2 = 0.2146 | wR2 = 0.2597 |