| Crystal data |
| Chemical formula |
[Fe(C18H15N6)2]·2CH4O |
|
M
r
|
750.65 |
| Crystal system, space group |
Orthorhombic, A
e
a2 |
| Temperature (K) |
180 |
|
a, b, c (Å) |
12.6854 (10), 26.315 (2), 10.6511 (7) |
|
V (Å3) |
3555.5 (5) |
|
Z
|
4 |
| Radiation type |
Mo Kα |
| μ (mm−1) |
0.48 |
| Crystal size (mm) |
0.3 × 0.24 × 0.04 |
| |
| Data collection |
| Diffractometer |
Xcalibur, Eos |
| Absorption correction |
Multi-scan (CrysAlis PRO; Rigaku OD, 2022 ▸) |
|
T
min, T
max
|
0.824, 1.000 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
6911, 3047, 2211 |
|
R
int
|
0.071 |
| (sin θ/λ)max (Å−1) |
0.595 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.061, 0.100, 1.00 |
| No. of reflections |
3047 |
| No. of parameters |
247 |
| No. of restraints |
1 |
| H-atom treatment |
H atoms treated by a mixture of independent and constrained refinement |
| Δρmax, Δρmin (e Å−3) |
0.84, −0.50 |
| Absolute structure |
Flack x determined using 703 quotients [(I
+)−(I
−)]/[(I
+)+(I
−)] (Parsons et al., 2013 ▸). |
| Absolute structure parameter |
−0.02 (3) |
