| Crystal data |
| Chemical formula |
[Li2(C6H4O8S2)(H2O)2]2·H2O |
2Na+·C6H6O9S2
2−
|
2NH4
+·C6H4O8S2
2−·H2O |
|
M
r
|
654.26 |
332.21 |
322.31 |
| Crystal system, space group |
Monoclinic, P21/n
|
Monoclinic, P21/n
|
Orthorhombic, P
b
c
a
|
| Temperature (K) |
100 |
100 |
100 |
|
a, b, c (Å) |
9.5847 (18), 7.4498 (15), 17.599 (4) |
6.8156 (7), 16.1449 (15), 9.5870 (9) |
6.5023 (15), 18.779 (4), 20.236 (4) |
| α, β, γ (°) |
90, 102.997 (4), 90 |
90, 92.727 (2), 90 |
90, 90, 90 |
|
V (Å3) |
1224.5 (4) |
1053.73 (18) |
2470.9 (9) |
|
Z
|
2 |
4 |
8 |
| Radiation type |
Mo Kα |
Mo Kα |
Mo Kα |
| μ (mm−1) |
0.49 |
0.63 |
0.48 |
| Crystal size (mm) |
0.24 × 0.09 × 0.04 |
0.45 × 0.16 × 0.13 |
0.10 × 0.05 × 0.04 |
| |
| Data collection |
| Diffractometer |
Bruker APEXII |
Bruker APEXII |
Bruker APEXII |
| Absorption correction |
Multi-scan (SADABS; Bruker, 2014 ▸) |
Multi-scan (SADABS; Bruker, 2014 ▸) |
Multi-scan (SADABS; Bruker, 2014 ▸) |
|
T
min, T
max
|
0.670, 0.746 |
0.676, 0.746 |
0.663, 0.746 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
15864, 2851, 2313 |
9573, 2485, 2340 |
12544, 2255, 1354 |
|
R
int
|
0.049 |
0.025 |
0.147 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.041, 0.100, 1.02 |
0.023, 0.071, 1.08 |
0.055, 0.127, 1.01 |
| No. of reflections |
2851 |
2485 |
2255 |
| No. of parameters |
217 |
185 |
204 |
| No. of restraints |
18 |
0 |
23 |
| H-atom treatment |
H-atom parameters constrained |
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) |
0.44, −0.48 |
0.44, −0.43 |
0.42, −0.53 |
