| Crystal data |
| Chemical formula |
[Co(NCS)2(C7H10N2)2] |
C16H20CoN6S2
|
|
M
r
|
419.43 |
419.43 |
| Crystal system, space group |
Monoclinic, P121/m1 |
Monoclinic, P21/c
|
| Temperature (K) |
100 |
100 |
|
a, b, c (Å) |
5.3708 (1), 15.2200 (2), 11.8014 (1) |
13.9171 (1), 9.5114 (1), 14.4487 (1) |
| β (°) |
99.076 (1) |
90.489 (1) |
|
V (Å3) |
952.61 (2) |
1912.52 (3) |
|
Z
|
2 |
4 |
| Radiation type |
Cu Kα |
Cu Kα |
| μ (mm−1) |
9.20 |
9.17 |
| Crystal size (mm) |
0.2 × 0.12 × 0.04 |
0.18 × 0.1 × 0.03 |
| |
| Data collection |
| Diffractometer |
XtaLAB Synergy, Dualflex, HyPix |
XtaLAB Synergy, Dualflex, HyPix |
| Absorption correction |
Multi-scan (CrysAlis PRO; Rigaku OD, 2021 ▸) |
Multi-scan (CrysAlis PRO; Rigaku OD, 2021 ▸) |
|
T
min, T
max
|
0.311, 1.000 |
0.476, 1.000 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
16411, 2100, 2081 |
57319, 4151, 4079 |
|
R
int
|
0.025 |
0.025 |
| (sin θ/λ)max (Å−1) |
0.635 |
0.639 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.024, 0.067, 1.14 |
0.026, 0.073, 1.13 |
| No. of reflections |
2100 |
4151 |
| No. of parameters |
126 |
231 |
| H-atom treatment |
H-atom parameters constrained |
H-atom parameters constrained |
| Δρmax, Δρmin (e Å−3) |
0.25, −0.37 |
0.29, −0.35 |
