Table 2. Crystallographic Data.
| 5 | 6 | 8 | |
|---|---|---|---|
| formula | C36H44Li2O6Zn | C15H29LiN2OZn | C24H48LiN3OZn |
| Mr | 652.0 | 325.7 | 467.0 |
| cryst size (mm3) | 0.58 × 0.28 × 0.12 | 0.18 × 0.14 × 0.04 | 0.43 × 0.39 × 0.26 |
| cryst syst | monoclinic | orthorhombic | orthorhombic |
| space group | P21/c | P212121 | P212121 |
| a, Å | 12.030(5) | 8.3053(3) | 12.0463(3) |
| b, Å | 17.467(5) | 13.0406(3) | 14.9178(5) |
| c, Å | 17.5333(14) | 16.4544(5) | 15.5281(4) |
| β, deg | 107.689(11) | ||
| V, Å3 | 3510.2(17) | 1782.11(9) | 2790.47(14) |
| Z | 4 | 4 | 4 |
| Dcalcd, g cm−3 | 1.234 | 1.214 | 1.112 |
| μ, mm−1 | 0.74 | 1.38 | 0.90 |
| <121>max, deg | 27.5 | 29.5 | 29.4 |
| reflns measured | 26 446 | 5932 | 12 878 |
| unique reflns | 7763 | 3047 | 6292 |
| Rint (on F2) | 0.057 | 0.028 | 0.027 |
| no. of params | 484 | 189 | 456 |
| Ra [F2 > 2σ(F2)] | 0.048 | 0.029 | 0.038 |
| Rwb (all data) | 0.101 | 0.043 | 0.078 |
| GOFc (S) | 1.04 | 0.89 | 0.93 |
| max, min diff map, e Å−3 | 0.64, −0.37 | 0.31, −0.32 | 0.49, −0.39 |
a
R = Σ|Fo| − |Fc||/Σ|Fo|.
b
Rw = [Σw(Fo2 − Fc2)2/Σw(Fo2)2]1/2.
c
GOF = [Σw(Fo2 − Fc2)2/(no. of unique reflections − no. of parameters)]1/2.