| Crystal data |
| Chemical formula |
[Co(NCS)2(C6H12N4)2(H2O)2]·2C6H12N4·2C2H3N |
|
M
r
|
854.01 |
| Crystal system, space group |
Monoclinic, P21/c
|
| Temperature (K) |
100 |
|
a, b, c (Å) |
13.0008 (2), 12.5903 (2), 12.9988 (2) |
| β (°) |
114.899 (2) |
|
V (Å3) |
1929.93 (6) |
|
Z
|
2 |
| Radiation type |
Cu Kα |
| μ (mm−1) |
4.99 |
| Crystal size (mm) |
0.20 × 0.04 × 0.03 |
| |
| Data collection |
| Diffractometer |
XtaLAB Synergy, Dualflex, HyPix |
| Absorption correction |
Multi-scan (CrysAlis PRO; Rigaku OD, 2021 ▸) |
|
T
min, T
max
|
0.779, 1.000 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
25388, 4088, 3972 |
|
R
int
|
0.021 |
| (sin θ/λ)max (Å−1) |
0.635 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.025, 0.071, 1.09 |
| No. of reflections |
4088 |
| No. of parameters |
259 |
| H-atom treatment |
H atoms treated by a mixture of independent and constrained refinement |
| Δρmax, Δρmin (e Å−3) |
0.20, −0.39 |
