| Crystal data |
| Chemical formula |
[Co(NCS)2(C6H6N2O)4]·2C6H6N2O·C2H6O |
|
M
r
|
953.92 |
| Crystal system, space group |
Triclinic, P
|
| Temperature (K) |
200 |
|
a, b, c (Å) |
9.1877 (4), 13.6779 (5), 20.3185 (8) |
| α, β, γ (°) |
104.027 (3), 97.256 (3), 109.576 (3) |
|
V (Å3) |
2273.12 (17) |
|
Z
|
2 |
| Radiation type |
Mo Kα |
| μ (mm−1) |
0.53 |
| Crystal size (mm) |
0.42 × 0.35 × 0.25 |
| |
| Data collection |
| Diffractometer |
Stoe IPDS2 |
| Absorption correction |
Numerical (X-SHAPE and X-RED32; Stoe, 2008 ▸) |
|
T
min, T
max
|
0.637, 0.805 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
23938, 9885, 8035 |
|
R
int
|
0.044 |
| (sin θ/λ)max (Å−1) |
0.639 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.054, 0.142, 1.10 |
| No. of reflections |
9885 |
| No. of parameters |
606 |
| H-atom treatment |
H-atom parameters constrained |
| Δρmax, Δρmin (e Å−3) |
0.75, −0.39 |
