| Crystal data |
| Chemical formula |
[Fe(C5H5)(C15H13N2O2)]·H2O |
|
M
r
|
392.23 |
| Crystal system, space group |
Triclinic, P
|
| Temperature (K) |
296 |
|
a, b, c (Å) |
9.2440 (4), 10.3415 (4), 11.0093 (5) |
| α, β, γ (°) |
65.358 (3), 66.714 (2), 81.236 (2) |
|
V (Å3) |
878.59 (7) |
|
Z
|
2 |
| Radiation type |
Mo Kα |
| μ (mm−1) |
0.88 |
| Crystal size (mm) |
0.22 × 0.14 × 0.11 |
| |
| Data collection |
| Diffractometer |
Bruker APEXII CCD |
| Absorption correction |
Multi-scan (SADABS; Krause et al., 2015 ▸) |
|
Tmin, Tmax
|
0.456, 0.746 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
11443, 3810, 3248 |
|
R
int
|
0.047 |
| (sin θ/λ)max (Å−1) |
0.641 |
| |
| Refinement |
|
R[F2 > 2σ(F2)], wR(F2), S
|
0.039, 0.105, 1.06 |
| No. of reflections |
3810 |
| No. of parameters |
293 |
| No. of restraints |
244 |
| H-atom treatment |
H atoms treated by a mixture of independent and constrained refinement |
| Δρmax, Δρmin (e Å−3) |
0.61, −0.21 |
