| Crystal data |
| Chemical formula |
[Ni(H2O)6](C11H8NO8S)22H2O |
|
M
r
|
831.31 |
| Crystal system, space group |
Triclinic, P
|
| Temperature (K) |
100 |
|
a, b, c () |
8.1632(5), 8.2829(6), 11.8492(8) |
| , , () |
102.316(6), 102.250(6), 93.003(6) |
|
V (3) |
760.91(9) |
|
Z
|
1 |
| Radiation type |
Mo K
|
| (mm1) |
0.88 |
| Crystal size (mm) |
0.3 0.2 0.15 |
| |
| Data collection |
| Diffractometer |
Agilent SuperNova (single source at offset, Eos detector) |
| Absorption correction |
Multi-scan (CrysAlis PRO; Agilent, 2012 ▸) |
|
T
min, T
max
|
0.781, 1.000 |
| No. of measured, independent and observed [I > 2(I)] reflections |
8135, 3071, 2513 |
|
R
int
|
0.025 |
| (sin /)max (1) |
0.625 |
| |
| Refinement |
|
R[F
2 > 2(F
2)], wR(F
2), S
|
0.047, 0.125, 1.09 |
| No. of reflections |
3071 |
| No. of parameters |
283 |
| No. of restraints |
213 |
| H-atom treatment |
H atoms treated by a mixture of independent and constrained refinement |
|
max, min (e 3) |
0.48, 0.84 |
