| Crystal data |
| Chemical formula |
(C4H10NO)5[Fe(OH)6Mo6O18](SO4)3.5H2O |
|
M
r
|
1621.30 |
| Crystal system, space group |
Triclinic, P
|
| Temperature (K) |
100 |
|
a, b, c () |
8.900(3), 13.143(4), 20.778(6) |
| , , () |
84.92(3), 85.37(3), 83.70(3) |
|
V (3) |
2400.1(13) |
|
Z
|
2 |
| Radiation type |
Mo K
|
| (mm1) |
1.97 |
| Crystal size (mm) |
0.27 0.20 0.12 |
| |
| Data collection |
| Diffractometer |
Rigaku Oxford Diffraction Xcalibur Atlas |
| Absorption correction |
Analytical (CrysAlis PRO; Rigaku Oxford Diffraction, 2015 ▸) |
|
T
min, T
max
|
0.708, 0.819 |
| No. of measured, independent and observed [I > 2(I)] reflections |
37127, 11708, 9288 |
|
R
int
|
0.038 |
| (sin /)max (1) |
0.695 |
| |
| Refinement |
|
R[F
2 > 2(F
2)], wR(F
2), S
|
0.042, 0.112, 1.02 |
| No. of reflections |
11708 |
| No. of parameters |
714 |
| No. of restraints |
12 |
| H-atom treatment |
H-atom parameters constrained |
|
max, min (e 3) |
1.98, 1.29 |
