| Crystal data |
| Chemical formula |
[Fe2Cl4O(C26H28N4)]·CHCl3
|
|
M
r
|
785.39 |
| Crystal system, space group |
Orthorhombic, P212121
|
| Temperature (K) |
120 |
|
a, b, c (Å) |
10.3489 (6), 14.3664 (8), 21.4619 (13) |
|
V (Å3) |
3190.9 (3) |
|
Z
|
4 |
| Radiation type |
Mo Kα |
| μ (mm−1) |
1.53 |
| Crystal size (mm) |
0.26 × 0.22 × 0.14 |
| |
| Data collection |
| Diffractometer |
Bruker APEXII CCD |
| Absorption correction |
Multi-scan (SADABS; Bruker, 2016 ▸) |
|
T
min, T
max
|
0.658, 0.746 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
79886, 10537, 8808 |
|
R
int
|
0.065 |
| (sin θ/λ)max (Å−1) |
0.736 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.037, 0.082, 1.05 |
| No. of reflections |
10537 |
| No. of parameters |
413 |
| No. of restraints |
37 |
| H-atom treatment |
H atoms treated by a mixture of independent and constrained refinement |
| Δρmax, Δρmin (e Å−3) |
0.67, −0.52 |
| Absolute structure parameter |
0.000 (14) |
