| Crystal data |
| Chemical formula |
[Fe(NCS)2(C25H28N8)] |
|
M
r
|
612.56 |
| Crystal system, space group |
Triclinic, P
|
| Temperature (K) |
250 |
|
a, b, c (Å) |
8.9656 (5), 12.5060 (6), 14.2311 (7) |
| α, β, γ (°) |
67.552 (5), 85.106 (4), 84.087 (4) |
|
V (Å3) |
1465.06 (14) |
|
Z
|
2 |
| Radiation type |
Mo Kα |
| μ (mm−1) |
0.69 |
| Crystal size (mm) |
0.4 × 0.2 × 0.2 |
| |
| Data collection |
| Diffractometer |
Rigaku Oxford Diffraction Xcalibur, Eos |
| Absorption correction |
Multi-scan (CrysAlis PRO; Rigaku OD, 2018 ▸) |
|
T
min, T
max
|
0.911, 1.000 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
10677, 5175, 4416 |
|
R
int
|
0.018 |
| (sin θ/λ)max (Å−1) |
0.595 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.037, 0.082, 1.03 |
| No. of reflections |
5175 |
| No. of parameters |
391 |
| H-atom treatment |
Only H-atom displacement parameters refined |
| Δρmax, Δρmin (e Å−3) |
0.62, −0.59 |
