Crystallography Open Database

Information card for entry 4132440

Preview

Coordinates	4132440.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H24 Cl4 Fe N2 O4
Calculated formula	C14 H24 Cl4 Fe N2 O4
Title of publication	A Ferric Semiquinoid Single-Chain Magnet via Thermally-Switchable Metal-Ligand Electron Transfer.
Authors of publication	DeGayner, Jordan A.; Wang, Kunyu; Harris, T. David
Journal of publication	Journal of the American Chemical Society
Year of publication	2018
Journal volume	140
Journal issue	21
Pages of publication	6550 - 6553
a	16.183 ± 0.003 Å
b	9.4935 ± 0.0016 Å
c	13.961 ± 0.002 Å
α	90°
β	104.871 ± 0.01°
γ	90°
Cell volume	2073 ± 0.6 Å³
Cell temperature	250 K
Ambient diffraction temperature	250.08 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0946
Residual factor for significantly intense reflections	0.0727
Weighted residual factors for significantly intense reflections	0.1927
Weighted residual factors for all reflections included in the refinement	0.2055
Goodness-of-fit parameter for all reflections included in the refinement	1.032
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4132440.html