| Crystal data |
| Chemical formula |
Na4Cu3[W12O40(OH)2]·28H2O |
Na5Fe2.5[W12O40(OH)2]·36H2O |
|
M
r
|
3621.13 |
3771.27 |
| Crystal system, space group |
Triclinic, P
|
Triclinic, P
|
| Temperature (K) |
100 |
100 |
|
a, b, c (Å) |
10.6516 (5), 12.7532 (6), 13.0730 (5) |
12.3758 (6), 14.7752 (7), 18.8919 (8) |
| α, β, γ (°) |
113.771 (1), 90.443 (1), 112.502 (1) |
92.9341 (14), 100.6938 (14), 94.1698 (15) |
|
V (Å3) |
1473.65 (11) |
3378.1 (3) |
|
Z
|
1 |
2 |
| Radiation type |
Mo Kα |
Mo Kα |
| μ (mm−1) |
24.53 |
21.02 |
| Crystal size (mm) |
0.13 × 0.07 × 0.02 |
0.37 × 0.07 × 0.04 |
| |
| Data collection |
| Diffractometer |
Bruker APEXII CCD |
Bruker D8 Venture |
| Absorption correction |
Multi-scan (SADABS; Bruker, 2016 ▸) |
Multi-scan (SADABS; Bruker, 2016 ▸) |
|
T
min, T
max
|
0.004, 0.023 |
0.012, 0.044 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
11292, 5321, 4720 |
38068, 12318, 10876 |
|
R
int
|
0.048 |
0.032 |
| (sin θ/λ)max (Å−1) |
0.602 |
0.602 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.035, 0.098, 1.05 |
0.022, 0.058, 1.09 |
| No. of reflections |
5321 |
12318 |
| No. of parameters |
463 |
980 |
| No. of restraints |
100 |
405 |
| 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) |
2.15, −1.63 |
1.57, −1.25 |
