Crystallography Open Database

Information card for entry 3000608

Preview

No preview available: structure is on hold until 2026-01-21

Coordinates	Coordinates are not available: structure is on hold until 2026-01-21

Structure parameters

Chemical name	(S)-N-(1-phenylethyl)ferrocenylthioamide
Formula	C19 H19 Fe N S
Authors of publication	Rakovský, Erik; Šebesta, Radovan
Journal of publication	To be published
a	5.8832 ± 0.0008 Å
b	12.6346 ± 0.0013 Å
c	10.7293 ± 0.0018 Å
α	90°
β	98.774 ± 0.012°
γ	90°
Cell volume	788.2 ± 0.19 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0407
Residual factor for significantly intense reflections	0.0396
Weighted residual factors for significantly intense reflections	0.1059
Weighted residual factors for all reflections included in the refinement	0.1078
Goodness-of-fit parameter for all reflections included in the refinement	1.0708
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54186 Å
Diffraction radiation type	CuKα
Has coordinates	No
Has disorder	No
Has F_obs	No

Version history

Not available for prepublication material.