Crystallography Open Database

Information card for entry 4110643

Preview

Coordinates	4110643.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Fe2C60Me5Ph5Cp2_C5v_SbCl6__PhCN
Formula	C112 H55 Cl6 Fe2 N Sb
Calculated formula	C112 H55 Cl6 Fe2 N Sb
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	38.141 ± 0.008 Å
b	18.996 ± 0.005 Å
c	29.201 ± 0.006 Å
α	90°
β	115.157 ± 0.011°
γ	90°
Cell volume	19150 ± 8 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	6
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	0.2234
Residual factor for significantly intense reflections	0.1558
Weighted residual factors for significantly intense reflections	0.3893
Weighted residual factors for all reflections included in the refinement	0.4413
Goodness-of-fit parameter for all reflections included in the refinement	1.416
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	4110643.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4110643.cif
59443	2012-06-06	cif/ Adding structures of 4110643 via cif-deposit CGI script.	4110643.cif