Crystallography Open Database

Information card for entry 4504828

Preview

Coordinates	4504828.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H38 Fe
Calculated formula	C24 H38 Fe
SMILES	[Fe]12345678([c]9([cH]1[cH]2[cH]3[cH]49)CCCCCCCCCCCCCC)[cH]1[cH]8[cH]7[cH]6[cH]51
Title of publication	Tetradecylferrocene: ordered molecular array of an organometallic amphiphile in the crystal and in a two-dimensional assembled structure on a surface.
Authors of publication	Wedeking, Katrin; Mu, Zhongcheng; Kehr, Gerald; Fröhlich, Roland; Erker, Gerhard; Chi, Lifeng; Fuchs, Harald
Journal of publication	Langmuir : the ACS journal of surfaces and colloids
Year of publication	2006
Journal volume	22
Journal issue	7
Pages of publication	3161 - 3165
a	55.313 ± 0.001 Å
b	7.919 ± 0.001 Å
c	9.818 ± 0.001 Å
α	90°
β	99.63 ± 0.01°
γ	90°
Cell volume	4239.9 ± 0.7 Å³
Cell temperature	198 ± 2 K
Ambient diffraction temperature	198 ± 2 K
Number of distinct elements	3
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	0.1079
Residual factor for significantly intense reflections	0.0587
Weighted residual factors for significantly intense reflections	0.0986
Weighted residual factors for all reflections included in the refinement	0.1119
Goodness-of-fit parameter for all reflections included in the refinement	1.017
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
179583 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/48.	4504828.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4504828.cif
47717	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 4504828 via cif-deposit CGI script.	4504828.cif