| Crystal data |
| Chemical formula |
[Fe(C5H5)(C15H19N)]I·CH2Cl2
|
|
M
r
|
546.08 |
| Crystal system, space group |
Monoclinic, P21
|
| Temperature (K) |
110 |
|
a, b, c (Å) |
10.7919 (7), 10.2128 (5), 11.2941 (7) |
| β (°) |
113.031 (3) |
|
V (Å3) |
1145.57 (12) |
|
Z
|
2 |
| Radiation type |
Mo Kα |
| μ (mm−1) |
2.24 |
| Crystal size (mm) |
0.30 × 0.10 × 0.10 |
| |
| Data collection |
| Diffractometer |
Bruker APEXII CCD |
| Absorption correction |
Multi-scan (SADABS; Krause et al., 2015 ▸) |
|
T
min, T
max
|
0.520, 0.746 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
58547, 6993, 6822 |
|
R
int
|
0.052 |
| (sin θ/λ)max (Å−1) |
0.715 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.033, 0.092, 1.06 |
| No. of reflections |
6993 |
| No. of parameters |
247 |
| No. of restraints |
1 |
| H-atom treatment |
H-atom parameters constrained |
| Δρmax, Δρmin (e Å−3) |
1.50, −0.69 |
| Absolute structure |
Flack x determined using 3144 quotients [(I
+)−(I
−)]/[(I
+)+(I
−)] (Parsons et al., 2013 ▸) |
| Absolute structure parameter |
0.018 (6) |
