Crystallography Open Database

Information card for entry 4088955

Preview

Coordinates	4088955.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H16 Cl Fe N O
Calculated formula	C12 H15.835 Cl Fe N O
Title of publication	Synthesis, Characterization, and Biological Activity of Ferrocenyl Analogues of the Anthelmintic Drug Monepantel
Authors of publication	Hess, Jeannine; Patra, Malay; Pierroz, Vanessa; Spingler, Bernhard; Jabbar, Abdul; Ferrari, Stefano; Gasser, Robin B.; Gasser, Gilles
Journal of publication	Organometallics
Year of publication	2016
Journal volume	35
Journal issue	19
Pages of publication	3369
a	13.8639 ± 0.0005 Å
b	19.0344 ± 0.0006 Å
c	9.5549 ± 0.0003 Å
α	90°
β	93.22 ± 0.003°
γ	90°
Cell volume	2517.47 ± 0.14 Å³
Cell temperature	183 ± 2 K
Ambient diffraction temperature	183 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0813
Residual factor for significantly intense reflections	0.0614
Weighted residual factors for significantly intense reflections	0.1348
Weighted residual factors for all reflections included in the refinement	0.1449
Goodness-of-fit parameter for all reflections included in the refinement	1.063
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
237899 (current)	2019-11-24	cif/ Adding structures of 4088953, 4088954, 4088955 via cif-deposit CGI script.	4088955.cif