Crystallography Open Database

Information card for entry 4069682

Preview

Coordinates	4069682.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C86 H86 F12 Fe2 P6
Calculated formula	C86 H86 F12 Fe2 P6
Title of publication	Electronic and Magnetic Couplings in Free and π-Coordinated 1,4-Diethynylnaphthalene-Bridged [Cp*(dppe)Fe]n+(n= 0, 1) Units
Authors of publication	Tanaka, Yuya; Shaw-Taberlet, Jennifer A.; Justaud, Frédéric; Cador, Olivier; Roisnel, Thierry; Akita, Munetaka; Hamon, Jean-René; Lapinte, Claude
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	16
Pages of publication	4656
a	40.308 ± 0.003 Å
b	12.553 ± 0.001 Å
c	34.713 ± 0.003 Å
α	90°
β	94.059 ± 0.003°
γ	90°
Cell volume	17520 ± 2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
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	0.1045
Residual factor for significantly intense reflections	0.0673
Weighted residual factors for significantly intense reflections	0.1619
Weighted residual factors for all reflections included in the refinement	0.1798
Goodness-of-fit parameter for all reflections included in the refinement	1.016
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
178585 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/96.	4069682.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4069682.cif
40387	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4069682 via cif-deposit CGI script.	4069682.cif