Table 1.
Crystallographic details for (H2CHx)(SO4)·3H2O and (H2CHx)(CO3)·4H2O.
| (H2CHx)(SO4)·3H2O | (H2CHx)(CO3)·4H2O | |
|---|---|---|
| Empirical formula | C22H38Cl2N10O7S | C23H40Cl2N10O7 |
| Molecular weight | 657.58 | 639.55 |
| Temperature (K) | 173(2) | 173(2) |
| Wavelength (Å) | 1.54187 | 1.54187 |
| Crystal system | Monoclinic | Monoclinic |
| Space group | P21/a | P21/a |
| a (Å) | 9.349(4) | 8.497(2) |
| b (Å) | 19.270(8) | 21.0858(10) |
| c (Å) | 17.365(7) | 17.738(5) |
| β (°) | 98.105(7) | 91.930(5) |
| V (Å3) | 3097(2) | 3176.2(12) |
| Z | 4 | 4 |
| ρ (g cm−1) | 1.410 | 1.337 |
| μ (mm−1) | 3.011 | 2.321 |
| F(000) | 1384 | 1352 |
| GooF | 1.182 | 1.124 |
| Reflections/data/parameters | 30743/5566/433 | 31375/5718/440 |
| Rint | 0.0984 | 0.0875 |
| Final R indices (I > 2σ(I)) | R1 = 0.1061 | R1 = 0.0642 |
| wR2 = 0.2772 | wR2 = 0.1411 | |
| Final R indices (all data) | R1 = 0.1288 | R1 = 0.1026 |
| wR2 = 0.3047 | wR2 = 0.1705 |