Crystallography Open Database

Information card for entry 4069683

Preview

Coordinates	4069683.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C96 H99 F6 Fe2 P5 Ru
Calculated formula	C96 H99 F6 Fe2 P5 Ru
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	17.4924 ± 0.0001 Å
b	20.2251 ± 0.0002 Å
c	26.9637 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	9539.37 ± 0.15 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	62
Hermann-Mauguin space group symbol	P n a m
Hall space group symbol	-P 2c 2n
Residual factor for all reflections	0.085
Residual factor for significantly intense reflections	0.0581
Weighted residual factors for significantly intense reflections	0.1665
Weighted residual factors for all reflections included in the refinement	0.1894
Goodness-of-fit parameter for all reflections included in the refinement	1.056
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.	4069683.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4069683.cif
40388	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4069683 via cif-deposit CGI script.	4069683.cif