Crystallography Open Database

Information card for entry 4121257

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Structure parameters

Formula	C6 Li N4
Calculated formula	C6 Li N4
Title of publication	Weak Ferromagnetic Ordering of the Li+[TCNE].- (TCNE = Tetracyanoethylene) Organic Magnet with an Interpenetrating Diamondoid Structure
Authors of publication	Jae-Hyuk Her; Peter W. Stephens; Royce A. Davidson; Kil Sik Min; Joshua D. Bagnato; Kipp van Schooten; Christoph Boehme; Joel S. Miller
Journal of publication	Journal of the American Chemical Society
Year of publication	2013
Journal volume	135
Pages of publication	18060 - 18063
a	5.43283 ± 0.00045 Å
b	5.40633 ± 0.00065 Å
c	11.91039 ± 0.00084 Å
α	90°
β	107.655 ± 0.0046°
γ	90°
Cell volume	333.35 ± 0.05 Å³
Cell temperature	20 K
Ambient diffraction temperature	20 K
Number of distinct elements	3
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Method of determination	powder diffraction
Diffraction radiation wavelength	0.690779 Å
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301834 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/12/ Each referenced PubChem compound corresponds to the full crystal structure.	4121257.cif
179014	2016-03-22	cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/12.	4121257.cif
107438	2014-03-19	cif/ Adding structures of 4121257 via cif-deposit CGI script.	4121257.cif