| Crystal data |
| Chemical formula |
[Li(C9H7O4)(H2O)] |
[Na(C9H7O4)(H2O)] |
|
M
r
|
204.10 |
220.15 |
| Crystal system, space group |
Monoclinic, P21/n
|
Triclinic, P
|
| Temperature (K) |
220 |
293 |
|
a, b, c (Å) |
8.3083 (12), 4.8511 (5), 22.587 (4) |
6.3289 (13), 6.8126 (14), 11.253 (2) |
| α, β, γ (°) |
90, 98.572 (18), 90 |
75.05 (2), 86.39 (2), 78.09 (2) |
|
V (Å3) |
900.2 (2) |
458.64 (17) |
|
Z
|
4 |
2 |
| Radiation type |
Mo Kα |
Mo Kα |
| μ (mm−1) |
0.12 |
0.17 |
| Crystal size (mm) |
0.46 × 0.15 × 0.15 |
0.4 × 0.2 × 0.08 |
| |
| Data collection |
| Diffractometer |
Stoe IPDS 2 |
Stoe IPDS 2 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
4973, 1735, 1314 |
7192, 1798, 1331 |
|
R
int
|
0.027 |
0.048 |
| (sin θ/λ)max (Å−1) |
0.619 |
0.619 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.032, 0.079, 1.01 |
0.035, 0.095, 1.00 |
| No. of reflections |
1735 |
1798 |
| No. of parameters |
152 |
152 |
| No. of restraints |
0 |
4 |
| H-atom treatment |
H atoms treated by a mixture of independent and constrained refinement |
H atoms treated by a mixture of independent and constrained refinement |
| Δρmax, Δρmin (e Å−3) |
0.19, −0.15 |
0.24, −0.22 |
