Crystallography Open Database

Information card for entry 4108757

Preview

Coordinates	4108757.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	CpFeC60Me10FeCp_CHCl3
Formula	C81 H41 Cl3 Fe2
Calculated formula	C81 H41 Cl3 Fe2
Title of publication	Uniquely Shaped Double-Decker Buckyferrocenes-Distinct Electron Donor-Acceptor Interactions
Authors of publication	Renata Marczak; Mateusz Wielopolski; S. Shankara Gayathri; Dirk M. Guldi; Yutaka Matsuo; Keiko Matsuo; Kazukuni Tahara; Eiichi Nakamura
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	16207 - 16215
a	35.095 ± 0.0014 Å
b	17.143 ± 0.0013 Å
c	17.421 ± 0.0013 Å
α	90°
β	99.812 ± 0.004°
γ	90°
Cell volume	10327.7 ± 1.2 Å³
Cell temperature	143 ± 2 K
Ambient diffraction temperature	143 ± 2 K
Number of distinct elements	4
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	0.0844
Residual factor for significantly intense reflections	0.0634
Weighted residual factors for significantly intense reflections	0.1647
Weighted residual factors for all reflections included in the refinement	0.1831
Goodness-of-fit parameter for all reflections included in the refinement	1.036
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
178833 (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 4/10/87.	4108757.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4108757.cif
57127	2012-05-17	cif/ Adding structures of 4108757 via cif-deposit CGI script.	4108757.cif