| Crystal data |
| Chemical formula |
[Co(C6H14N2)3]Cl3·H2O |
|
M
r
|
525.87 |
| Crystal system, space group |
Tetragonal, I
 2d
|
| Temperature (K) |
120 |
|
a, c (Å) |
18.7857 (14), 13.8572 (12) |
|
V (Å3) |
4890.2 (9) |
|
Z
|
8 |
| Radiation type |
Mo Kα |
| μ (mm−1) |
1.05 |
| Crystal size (mm) |
0.22 × 0.06 × 0.05 |
| |
| Data collection |
| Diffractometer |
Bruker APEXII |
| Absorption correction |
Numerical (SADABS; Krause et al., 2015 ▸) |
|
T
min, T
max
|
0.809, 0.926 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
43332, 2707, 2416 |
|
R
int
|
0.068 |
| (sin θ/λ)max (Å−1) |
0.642 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.047, 0.130, 1.06 |
| No. of reflections |
2707 |
| No. of parameters |
137 |
| H-atom treatment |
H-atom parameters constrained |
| Δρmax, Δρmin (e Å−3) |
1.14, −0.62 |
| Absolute structure |
Flack x determined using 1004 quotients [(I
+)−(I
−)]/[(I
+)+(I
−)] (Parsons et al., 2013 ▸). |
| Absolute structure parameter |
0.003 (7) |
