| Crystal data |
| Chemical formula |
[Fe(C5H5)(C24H27O2)]·C2H6OS |
|
M
r
|
546.52 |
| Crystal system, space group |
Monoclinic, P21
|
| Temperature (K) |
100 |
|
a, b, c (Å) |
7.4178 (12), 11.2436 (15), 16.1160 (18) |
| β (°) |
93.148 (4) |
|
V (Å3) |
1342.1 (3) |
|
Z
|
2 |
| Radiation type |
Mo Kα |
| μ (mm−1) |
0.67 |
| Crystal size (mm) |
0.30 × 0.25 × 0.03 |
| |
| Data collection |
| Diffractometer |
Bruker APEXII Ultra |
| Absorption correction |
Multi-scan (SADABS; Bruker, 2013 ▸) |
|
T
min, T
max
|
0.064, 0.093 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
9583, 5327, 4816 |
|
R
int
|
0.048 |
| (sin θ/λ)max (Å−1) |
0.625 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.043, 0.097, 1.02 |
| No. of reflections |
5327 |
| No. of parameters |
329 |
| No. of restraints |
1 |
| H-atom treatment |
H-atom parameters constrained |
| Δρmax, Δρmin (e Å−3) |
0.32, −0.44 |
| Absolute structure |
Flack x determined using 1990 quotients [(I
+)−(I
−)]/[(I
+)+(I
−)] (Parsons et al., 2013 ▸) |
| Absolute structure parameter |
0.004 (14) |
