| Crystal data |
| Chemical formula |
[Fe(C4H6N2)2(C44H28N4)]·3C7H8
|
|
M
r
|
1109.17 |
| Crystal system, space group |
Triclinic, P
|
| Temperature (K) |
100 |
|
a, b, c (Å) |
8.9075 (4), 10.8001 (5), 15.7095 (8) |
| α, β, γ (°) |
78.759 (2), 81.631 (1), 76.356 (1) |
|
V (Å3) |
1432.58 (12) |
|
Z
|
1 |
| Radiation type |
Mo Kα |
| μ (mm−1) |
0.32 |
| Crystal size (mm) |
0.30 × 0.19 × 0.05 |
| |
| Data collection |
| Diffractometer |
Brucker D8 QUEST System |
| Absorption correction |
Multi-scan (SADABS; Krause et al., 2015 ▸) |
|
Tmin, Tmax
|
0.930, 0.984 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
30552, 5860, 4702 |
|
R
int
|
0.063 |
| (sin θ/λ)max (Å−1) |
0.625 |
| |
| Refinement |
|
R[F2 > 2σ(F2)], wR(F2), S
|
0.040, 0.095, 1.05 |
| No. of reflections |
5860 |
| No. of parameters |
403 |
| H-atom treatment |
H atoms treated by a mixture of independent and constrained refinement |
| Δρmax, Δρmin (e Å−3) |
0.35, −0.52 |
