| Crystal data |
| Chemical formula |
[Ni(NCS)2(C16H38N6)] |
|
M
r
|
489.39 |
| Crystal system, space group |
Triclinic, P
|
| Temperature (K) |
180 |
|
a, b, c () |
8.6610(17), 12.027(2), 12.560(3) |
| , , () |
94.66(3), 97.99(3), 110.04(3) |
|
V (3) |
1205.4(5) |
|
Z
|
2 |
| Radiation type |
Synchrotron, = 0.630 |
| (mm1) |
0.72 |
| Crystal size (mm) |
0.25 0.15 0.13 |
| |
| Data collection |
| Diffractometer |
ADSC Q210 CCD area detector |
| Absorption correction |
Empirical (using intensity measurements) (HKL3000sm SCALEPACK; Otwinowski Minor, 1997 ▸) |
|
T
min, T
max
|
0.841, 0.916 |
| No. of measured, independent and observed [I > 2(I)] reflections |
12812, 6583, 6243 |
|
R
int
|
0.014 |
| (sin /)max (1) |
0.696 |
| |
| Refinement |
|
R[F
2 > 2(F
2)], wR(F
2), S
|
0.042, 0.111, 1.06 |
| No. of reflections |
6583 |
| No. of parameters |
287 |
| No. of restraints |
11 |
| H-atom treatment |
H-atom parameters constrained |
|
max, min (e 3) |
1.58, 1.11 |
