Crystallography Open Database

Information card for entry 4004050

Preview

Coordinates	4004050.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	2
Formula	C14 H24 Cl2 Fe2 N2 O4
Calculated formula	C8.66667 H8.0004 Cl2 Fe0.666667 N0.666667 O4
Title of publication	Strong Magnetocrystalline Anisotropy Arising from Metal–Ligand Covalency in a Metal–Organic Candidate for 2D Magnetic Order
Authors of publication	Wang, Yiran; Ziebel, Michael E.; Sun, Lei; Gish, J. Tyler; Pearson, Tyler J.; Lu, Xue-Zeng; Thorarinsdottir, Agnes E.; Hersam, Mark C.; Long, Jeffrey R.; Freedman, Danna E.; Rondinelli, James M.; Puggioni, Danilo; Harris, T. David
Journal of publication	Chemistry of Materials
Year of publication	2021
Journal volume	33
Journal issue	22
Pages of publication	8712 - 8721
a	13.5717 ± 0.0018 Å
b	13.5717 ± 0.0018 Å
c	9.9759 ± 0.0018 Å
α	90°
β	90°
γ	120°
Cell volume	1591.3 ± 0.4 Å³
Cell temperature	250 ± 2 K
Ambient diffraction temperature	250 K
Number of distinct elements	6
Space group number	162
Hermann-Mauguin space group symbol	P -3 1 m
Hall space group symbol	-P 3 2
Residual factor for all reflections	0.1294
Residual factor for significantly intense reflections	0.1011
Weighted residual factors for significantly intense reflections	0.2595
Weighted residual factors for all reflections included in the refinement	0.2916
Goodness-of-fit parameter for all reflections included in the refinement	1.09
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
271063 (current)	2021-12-04	cif/ Adding structures of 4004050 via cif-deposit CGI script.	4004050.cif