Crystallography Open Database

Information card for entry 4110642

Preview

Coordinates	4110642.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Fe2C60Me10Cp2_D5d
Formula	C40 H20 Fe
Calculated formula	C40 H20 Fe
Title of publication	Synthesis and Electrochemistry of Double-Decker Buckyferrocenes
Authors of publication	Yutaka Matsuo; Kazukuni Tahara; Eiichi Nakamura
Journal of publication	Journal of the American Chemical Society
Year of publication	2006
Journal volume	128
Pages of publication	7154 - 7155
a	9.99 ± 0.0004 Å
b	16.299 ± 0.0005 Å
c	15.211 ± 0.0005 Å
α	90°
β	100.238 ± 0.002°
γ	90°
Cell volume	2437.33 ± 0.15 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0755
Residual factor for significantly intense reflections	0.0708
Weighted residual factors for significantly intense reflections	0.197
Weighted residual factors for all reflections included in the refinement	0.2051
Goodness-of-fit parameter for all reflections included in the refinement	1.108
Diffraction radiation probe	x-ray
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
178877 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/06.	4110642.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4110642.cif
59442	2012-06-06	cif/ Adding structures of 4110642 via cif-deposit CGI script.	4110642.cif