Crystallography Open Database

Information card for entry 4109720

Preview

Coordinates	4109720.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 Fe Sc3
Calculated formula	C4 Fe Sc3
Title of publication	Experimental Electron Density of the Complex Carbides Sc3[Fe(C2)2] and Sc3[Co(C2)2]
Authors of publication	Benjamin Rohrmoser; Georg Eickerling; Manuel Presnitz; Wolfgang Scherer; Volker Eyert; Rolf-Dieter Hoffmann; Ute Ch. Rodewald; Christian Vogt; Rainer Pöttgen
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	9356 - 9365
a	3.3689 ± 0.001 Å
b	4.3818 ± 0.001 Å
c	12.0959 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	178.56 ± 0.07 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	71
Hermann-Mauguin space group symbol	I m m m
Hall space group symbol	-I 2 2
Residual factor for all reflections	0.0299
Residual factor for significantly intense reflections	0.0155
Weighted residual factors for all reflections included in the refinement	0.0133
Goodness-of-fit parameter for all reflections included in the refinement	1.1083
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKa
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178843 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/97.	4109720.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109720.cif
58498	2012-05-29	cif/ Adding structures of 4109720 via cif-deposit CGI script.	4109720.cif