Crystallography Open Database

Information card for entry 7016097

Preview

Coordinates	7016097.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C103 H108 Fe2 P4
Calculated formula	C103 H108 Fe2 P4
Title of publication	Optical electron transfer through 2,7-diethynylfluorene spacers in mixed-valent complexes containing electron-rich "(η(2)-dppe)(η(5)-C(5)Me(5))Fe" endgroups.
Authors of publication	Malvolti, Floriane; Rouxel, Cedric; Mongin, Olivier; Hapiot, Philippe; Toupet, Loic; Blanchard-Desce, Mireille; Paul, Frédéric
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2011
Journal volume	40
Journal issue	25
Pages of publication	6616 - 6618
a	20.69 ± 0.002 Å
b	20.374 ± 0.002 Å
c	40.538 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	17088 ± 3 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.1694
Residual factor for significantly intense reflections	0.065
Weighted residual factors for significantly intense reflections	0.1221
Weighted residual factors for all reflections included in the refinement	0.1381
Goodness-of-fit parameter for all reflections included in the refinement	0.981
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
179864 (current)	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/60.	7016097.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7016097.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7016097.cif
23630	2011-08-09	../uploads/cif-deposit/cod/cif Adding structures of 7016097 via cif-deposit CGI script.	7016097.cif