Crystallography Open Database

Information card for entry 4121388

Preview

Coordinates	4121388.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H16 Fe3 N4 Se4
Calculated formula	C4 H16 Fe3 N4 Se4
Title of publication	Chemical Excision of Tetrahedral FeSe2 Chains from the Superconductor FeSe: Synthesis, Crystal Structure, and Magnetism of Fe3Se4(en)2
Authors of publication	Chongin Pak; Saeed Kamali; Joyce Pham; Kathleen Lee; Joshua T. Greenfield; Kirill Kovnir
Journal of publication	Journal of the American Chemical Society
Year of publication	2013
Journal volume	135
Pages of publication	19111 - 19114
a	17.205 ± 0.002 Å
b	7.9085 ± 0.0009 Å
c	11.6143 ± 0.0014 Å
α	90°
β	121.075 ± 0.002°
γ	90°
Cell volume	1353.5 ± 0.3 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	5
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	0.0732
Residual factor for significantly intense reflections	0.0388
Weighted residual factors for significantly intense reflections	0.0716
Weighted residual factors for all reflections included in the refinement	0.0837
Goodness-of-fit parameter for all reflections included in the refinement	1.002
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179015 (current)	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 4/12/13.	4121388.cif
107595	2014-03-20	cif/ Adding structures of 4121388 via cif-deposit CGI script.	4121388.cif