| Crystal data |
| Chemical formula |
[Co2Cl4(C17H18N2)2][CoCl2(C17H18N2)(H2O)] |
|
M
r
|
1158.50 |
| Crystal system, space group |
Orthorhombic, P212121
|
| Temperature (K) |
200 |
|
a, b, c (Å) |
8.5470 (4), 22.0971 (9), 26.9407 (12) |
|
V (Å3) |
5088.1 (4) |
|
Z
|
4 |
| Radiation type |
Cu Kα |
| μ (mm−1) |
10.82 |
| Crystal size (mm) |
0.21 × 0.11 × 0.05 |
| |
| Data collection |
| Diffractometer |
Stoe IPDS 2T |
| Absorption correction |
Integration (X-RED32; Stoe, 2016 ▸) |
|
T
min, T
max
|
0.176, 0.523 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
40552, 8979, 7084 |
|
R
int
|
0.129 |
| (sin θ/λ)max (Å−1) |
0.602 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.053, 0.138, 1.07 |
| No. of reflections |
8979 |
| No. of parameters |
617 |
| H-atom treatment |
H atoms treated by a mixture of independent and constrained refinement |
| Δρmax, Δρmin (e Å−3) |
0.63, −0.51 |
| Absolute structure |
Flack x determined using 2418 quotients [(I
+)−(I
−)]/[(I
+)+(I
−)] (Parsons et al., 2013 ▸). |
| Absolute structure parameter |
−0.042 (4) |
