Table 2. Experimental details.

Crystal data
Chemical formula	[Fe(C5H5)(C21H18OPS)]
M r	470.32
Crystal system, space group	Monoclinic, P21/c
Temperature (K)	110
a, b, c (Å)	7.3643 (9), 17.909 (2), 16.710 (2)
β (°)	95.230 (4)
V (Å3)	2194.8 (5)
Z	4
Radiation type	Mo Kα
μ (mm−1)	0.87
Crystal size (mm)	0.1 × 0.07 × 0.01
Data collection
Diffractometer	Bruker APEXII CCD
Absorption correction	Multi-scan (SADABS; Krause et al., 2015 ▸)
T min, T max	0.673, 0.730
No. of measured, independent and observed [I > 2σ(I)] reflections	43009, 5657, 3907
R int	0.113
(sin θ/λ)max (Å−1)	0.688
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S	0.053, 0.144, 1.03
No. of reflections	5657
No. of parameters	272
H-atom treatment	H-atom parameters constrained
Δρmax, Δρmin (e Å−3)	1.43, −0.50

Computer programs: APEX2 and SAINT (Bruker, 2015 ▸), SHELXT (Sheldrick, 2015a ▸), SHELXL2018 (Sheldrick, 2015b ▸), ORTEPIII (Burnett & Johnson, 1996 ▸); ORTEP-3 for Windows (Farrugia, 2012 ▸) and Mercury (Macrae et al., 2020 ▸).