Crystallography Open Database

Information card for entry 1506216

Preview

Coordinates	1506216.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C117 H105 Fe6 O3
Calculated formula	C117 H105 Fe6 O3
Title of publication	Simultaneous ejection of six electrons at a constant potential by hexakis(4-ferrocenylphenyl)benzene.
Authors of publication	Chebny, Vincent J.; Dhar, Dwairath; Lindeman, Sergey V.; Rathore, Rajendra
Journal of publication	Organic letters
Year of publication	2006
Journal volume	8
Journal issue	22
Pages of publication	5041 - 5044
a	20.19 ± 0.005 Å
b	21.348 ± 0.005 Å
c	24.339 ± 0.009 Å
α	98.401 ± 0.005°
β	100.779 ± 0.005°
γ	115.219 ± 0.004°
Cell volume	9017 ± 5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0935
Residual factor for significantly intense reflections	0.0653
Weighted residual factors for significantly intense reflections	0.1693
Weighted residual factors for all reflections included in the refinement	0.1838
Goodness-of-fit parameter for all reflections included in the refinement	1.106
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1506216.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1506216.cif
48099	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 1506216 via cif-deposit CGI script.	1506216.cif