TABLE 1.
Crystal data and structure refinement parameters for complexes
| [Eu4(OH)4(Asp)5 (H2O)7]Cl · 15.5H2O (2) | |
|---|---|
| Empirical formula | C20H69ClEu4N5O42.50 |
| Formula weight | 1703.09 |
| Temperature | 293(2) K |
| Wavelength | 0.71073 Å |
| Crystal system | Orthorhombic |
| Space group | P212121 |
| Unit cell dimensions | a = 11.559(5) Å α = 90° |
| b = 20.748(9) Å β = 90° | |
| c = 23.684(10) Å γ = 90° | |
| Volume | 5680(4) Å3 |
| Z | 4 |
| Density (calculated) | 1.992 mg/m3 |
| Absorption coefficient | 4.509 mm−1 |
| F (000) | 3332 |
| Crystal size | 0.21 × 0.10 × 0.05 mm |
| θ range for data collection | 1.96° to 26.00° |
| Limiting indices | −13 ≤ h ≤ 14, −25 ≤ k ≤ 25, −29 ≤ l ≤22 |
| Reflections collected | 32108 |
| Independent reflections | 11117 (Rint = 0.0269) |
| Completeness to θ = 25.02° | 99.4% |
| Refinement method | Full matrix least-squares on F2 |
| Data/restraints/parameters | 11117/9/654 |
| Goodness-of-fit on F2 | 1.072 |
| Final R indices [I > 2σ(I)] | R1 = 0.0315, wR2 = 0.0834 |
| R indices (all data) | R1 = 0.0351, wR2 = 0.0851 |
| Absolute structure parameter | −0.013(14) |
| Largest difference peak and hole | 1.440 and −0.559 eÅ−3 |