Crystallography Open Database

Information card for entry 4107700

Preview

Coordinates	4107700.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	FeC60C6H4COOH5_THF
Formula	C280 H100 Fe2 O20
Calculated formula	C245 H132 Fe2 O32
Title of publication	Photocurrent-Generating Properties of Organometallic Fullerene Molecules on an Electrode
Authors of publication	Yutaka Matsuo; Katsuhiko Kanaizuka; Keiko Matsuo; Yu-Wu Zhong; Takahiro Nakae; Eiichi Nakamura
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	5016 - 5017
a	19.114 ± 0.005 Å
b	20.233 ± 0.005 Å
c	25.671 ± 0.005 Å
α	109.406 ± 0.005°
β	99.042 ± 0.005°
γ	92.413 ± 0.005°
Cell volume	9200 ± 4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.2116
Residual factor for significantly intense reflections	0.1276
Weighted residual factors for significantly intense reflections	0.343
Weighted residual factors for all reflections included in the refinement	0.413
Goodness-of-fit parameter for all reflections included in the refinement	1.264
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178823 (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 4/10/77.	4107700.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4107700.cif
55849	2012-05-07	cif/ Adding structures of 4107700 via cif-deposit CGI script.	4107700.cif